Design, synthesis, characterization and assessment of practical applications of coordination and organometallic compounds

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Design, synthesis, characterization and assessment of practical applications of coordination and organometallic compounds (en)
Дизајнирање, синтеза, карактеризација и процена практичне примене координационих и органометалних једињења (sr)
Dizajniranje, sinteza, karakterizacija i procena praktične primene koordinacionih i organometalnih jedinjenja (sr_RS)
Authors

Publications

Supporting Information for: "Short Intramolecular O···O Contact in Some o-Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area"

Bogdanović, Goran A.; Ostojić, Bojana; Novakovic, Sladjana B.

(American Chemical Society (ACS), 2018)

TY  - DATA
AU  - Bogdanović, Goran A.
AU  - Ostojić, Bojana
AU  - Novakovic, Sladjana B.
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4479
AB  - CSD refcodes and additional plots from the CSD search: distribution of relevant distances and torsion and dihedral angles. EP distribution within different crystal structures containing the o-dialkoxybenzene fragment. Examples of crystal structures with multiple hydrogen bonding interactions to O···O systems. Figure S1. Distribution of torsion angle O1a−C3a−C3b−O1b showing the preferentially coplanar arrangement of the two ether oxygen atoms with respect to the benzene ring. Figure S2. Plot of torsion angles C1a−O1a−C3a−C3b vs. C1b−O1b−C3b−C3a. Figure S3. Additional fragments used in CSD search. Figure S4. Distribution of corresponding O...O distances in transition metal complexes. Figure S5. Distribution of angles: C4-C3-O1 and O1-C3a-C3b i.e. O1-C3b-C3a in the extracted crystal structures shows significant deviation from the expected value of 120°. Figure S6. Distribution of dihedral angles between the C3/O1/C1 planes reflects the coplanar orientation of the oxygen electron pairs in the extracted crystal structures. Figure S7. Laplacian distribution in relevant planes of DMB system. Fugre S8. Comparison of the negative EP isosurfaces of DMB and anisole. Figure S9. EP distribution in meta- and para-DMB. Figure S10. Examples of EP distribution in different crystal structures containing the odialkoxybenzene fragment. Figure S11. Examples of multiple hydrogen bonding interactions to O...O system (O…H ≤ 3.0 Å and D−H...O ≥ 110°). Figure S12. CSD-based spatial distribution of D–H donors around O…O system. IsoStar plots are given for D–H…O interactions with O…H distances up to 2.6 Å. Figure S13. Distribution of O…H distances from O–H…O and N–H…O interactions. Figure S14. Distribution of the H atoms belonging to OH/NH donor groups with respect to the O…O acceptor plane (P1). Figure S15. Molecular graph showing the bond paths and bond critical points corresponding to the interactions of O...O acceptor system in crystal structures: RABWIA, FOTKUW and ITUCEG. Figure S16. Scatterplot O1a…H vs. O1b…H, where H is a single hydrogen atom potentially involved in a bifurcated hydrogen bond. Figure S17. Distribution of the H atoms belonging to BFHB with regard to the O…O acceptor plane. Figure S18. Scatterplot of D–H...O interaction angles in BFHB. Figure S19. Distribution of O...H contacts from BFHB. Figure S20. EP distribution in catechol molecule with and without an intramolecular hydrogen bond. Figure S21. EP distribution in guaiacol molecule with and without an intramolecular hydrogen bond. Figure S22. 3D representation of HOMO and LUMO orbitals in DMB in the ground electronic state obtained at the BP86(D)/TZ2P level of theory. Figure S23. Optimized geometry of the DMB-H2O dimer computed at the B3LYP/6-311++g(d,p) level of theory. Figure S24. Geometry of the transition state TS1 optimized at the B3LYP/6-311++G(d,p) level of theory. Table S1. Selected molecular parameters of the equilibrium geometry of the most stable conformer of DMB. Comparison between optimized values obtained at the B3LYP/aug-cc-pVTZ level and the gas-phase electron diffraction (GED) data. Table S2. CSD refcodes of the examined crystal structures.
PB  - American Chemical Society (ACS)
T2  - Crystal Growth & Design
T1  - Supporting Information for: "Short Intramolecular O···O Contact in Some o-Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area"
DO  - 10.1021/acs.cgd.7b00914.s001
ER  - 
@misc{
author = "Bogdanović, Goran A. and Ostojić, Bojana and Novakovic, Sladjana B.",
year = "2018",
abstract = "CSD refcodes and additional plots from the CSD search: distribution of relevant distances and torsion and dihedral angles. EP distribution within different crystal structures containing the o-dialkoxybenzene fragment. Examples of crystal structures with multiple hydrogen bonding interactions to O···O systems. Figure S1. Distribution of torsion angle O1a−C3a−C3b−O1b showing the preferentially coplanar arrangement of the two ether oxygen atoms with respect to the benzene ring. Figure S2. Plot of torsion angles C1a−O1a−C3a−C3b vs. C1b−O1b−C3b−C3a. Figure S3. Additional fragments used in CSD search. Figure S4. Distribution of corresponding O...O distances in transition metal complexes. Figure S5. Distribution of angles: C4-C3-O1 and O1-C3a-C3b i.e. O1-C3b-C3a in the extracted crystal structures shows significant deviation from the expected value of 120°. Figure S6. Distribution of dihedral angles between the C3/O1/C1 planes reflects the coplanar orientation of the oxygen electron pairs in the extracted crystal structures. Figure S7. Laplacian distribution in relevant planes of DMB system. Fugre S8. Comparison of the negative EP isosurfaces of DMB and anisole. Figure S9. EP distribution in meta- and para-DMB. Figure S10. Examples of EP distribution in different crystal structures containing the odialkoxybenzene fragment. Figure S11. Examples of multiple hydrogen bonding interactions to O...O system (O…H ≤ 3.0 Å and D−H...O ≥ 110°). Figure S12. CSD-based spatial distribution of D–H donors around O…O system. IsoStar plots are given for D–H…O interactions with O…H distances up to 2.6 Å. Figure S13. Distribution of O…H distances from O–H…O and N–H…O interactions. Figure S14. Distribution of the H atoms belonging to OH/NH donor groups with respect to the O…O acceptor plane (P1). Figure S15. Molecular graph showing the bond paths and bond critical points corresponding to the interactions of O...O acceptor system in crystal structures: RABWIA, FOTKUW and ITUCEG. Figure S16. Scatterplot O1a…H vs. O1b…H, where H is a single hydrogen atom potentially involved in a bifurcated hydrogen bond. Figure S17. Distribution of the H atoms belonging to BFHB with regard to the O…O acceptor plane. Figure S18. Scatterplot of D–H...O interaction angles in BFHB. Figure S19. Distribution of O...H contacts from BFHB. Figure S20. EP distribution in catechol molecule with and without an intramolecular hydrogen bond. Figure S21. EP distribution in guaiacol molecule with and without an intramolecular hydrogen bond. Figure S22. 3D representation of HOMO and LUMO orbitals in DMB in the ground electronic state obtained at the BP86(D)/TZ2P level of theory. Figure S23. Optimized geometry of the DMB-H2O dimer computed at the B3LYP/6-311++g(d,p) level of theory. Figure S24. Geometry of the transition state TS1 optimized at the B3LYP/6-311++G(d,p) level of theory. Table S1. Selected molecular parameters of the equilibrium geometry of the most stable conformer of DMB. Comparison between optimized values obtained at the B3LYP/aug-cc-pVTZ level and the gas-phase electron diffraction (GED) data. Table S2. CSD refcodes of the examined crystal structures.",
publisher = "American Chemical Society (ACS)",
journal = "Crystal Growth & Design",
title = "Supporting Information for: "Short Intramolecular O···O Contact in Some o-Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area"",
doi = "10.1021/acs.cgd.7b00914.s001"
}
Bogdanović, G. A., Ostojić, B.,& Novakovic, S. B.. (2018). Supporting Information for: "Short Intramolecular O···O Contact in Some o-Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area". in Crystal Growth & Design
American Chemical Society (ACS)..
https://doi.org/10.1021/acs.cgd.7b00914.s001
Bogdanović GA, Ostojić B, Novakovic SB. Supporting Information for: "Short Intramolecular O···O Contact in Some o-Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area". in Crystal Growth & Design. 2018;.
doi:10.1021/acs.cgd.7b00914.s001 .
Bogdanović, Goran A., Ostojić, Bojana, Novakovic, Sladjana B., "Supporting Information for: "Short Intramolecular O···O Contact in Some o-Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area"" in Crystal Growth & Design (2018),
https://doi.org/10.1021/acs.cgd.7b00914.s001 . .

Short Intramolecular O···O Contact in Some o-Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area

Bogdanović, Goran A.; Ostojić, Bojana; Novakovic, Sladjana B.

(American Chemical Society (ACS), 2018)

TY  - JOUR
AU  - Bogdanović, Goran A.
AU  - Ostojić, Bojana
AU  - Novakovic, Sladjana B.
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4283
AB  - Statistical analysis of data extracted from the Cambridge Structural Database (CSD) has been used to investigate the crystal structure properties of odialkoxybenzene derivatives, compounds containing two ether oxygen acceptors in ortho positions of benzene ring. It has been shown that in more than 90% of cases, the fragment has predictable geometrical characteristics where the two ether oxygens form short interatomic O center dot center dot center dot O contact (2.57 A in average), while O-substitutents take trans position, both approximately coplanar with the benzene ring. Such arrangement of oxygen acceptors produces a large and uniform area of the negative electrostatic potential suitable for multiple hydrogen bonding. The acceptor abilities of the O center dot center dot center dot O system have been investigated by the statistical CSD analysis. The ab initio estimation of the interaction energy in the dimer of o-dimethoxybenzene (DMB) and H2O, employed as a model system, is achieved via high-level electron correlation CCSD(T) calculation with the complete basis set extrapolation. The interaction energy is estimated to be 6.5 kcal/mol. The results indicate the existence of a very flat potential the region between methoxy oxygens and that DMB water is a highly flexible system. The structural role of the O center dot center dot center dot O acceptor system is particularly interesting considering its ability to form multiple hydrogen bonding
PB  - American Chemical Society (ACS)
T2  - Crystal Growth & Design
T1  - Short Intramolecular O···O Contact in Some o-Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area
VL  - 18
IS  - 3
SP  - 1303
EP  - 1314
DO  - 10.1021/acs.cgd.7b00914
ER  - 
@article{
author = "Bogdanović, Goran A. and Ostojić, Bojana and Novakovic, Sladjana B.",
year = "2018",
abstract = "Statistical analysis of data extracted from the Cambridge Structural Database (CSD) has been used to investigate the crystal structure properties of odialkoxybenzene derivatives, compounds containing two ether oxygen acceptors in ortho positions of benzene ring. It has been shown that in more than 90% of cases, the fragment has predictable geometrical characteristics where the two ether oxygens form short interatomic O center dot center dot center dot O contact (2.57 A in average), while O-substitutents take trans position, both approximately coplanar with the benzene ring. Such arrangement of oxygen acceptors produces a large and uniform area of the negative electrostatic potential suitable for multiple hydrogen bonding. The acceptor abilities of the O center dot center dot center dot O system have been investigated by the statistical CSD analysis. The ab initio estimation of the interaction energy in the dimer of o-dimethoxybenzene (DMB) and H2O, employed as a model system, is achieved via high-level electron correlation CCSD(T) calculation with the complete basis set extrapolation. The interaction energy is estimated to be 6.5 kcal/mol. The results indicate the existence of a very flat potential the region between methoxy oxygens and that DMB water is a highly flexible system. The structural role of the O center dot center dot center dot O acceptor system is particularly interesting considering its ability to form multiple hydrogen bonding",
publisher = "American Chemical Society (ACS)",
journal = "Crystal Growth & Design",
title = "Short Intramolecular O···O Contact in Some o-Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area",
volume = "18",
number = "3",
pages = "1303-1314",
doi = "10.1021/acs.cgd.7b00914"
}
Bogdanović, G. A., Ostojić, B.,& Novakovic, S. B.. (2018). Short Intramolecular O···O Contact in Some o-Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area. in Crystal Growth & Design
American Chemical Society (ACS)., 18(3), 1303-1314.
https://doi.org/10.1021/acs.cgd.7b00914
Bogdanović GA, Ostojić B, Novakovic SB. Short Intramolecular O···O Contact in Some o-Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area. in Crystal Growth & Design. 2018;18(3):1303-1314.
doi:10.1021/acs.cgd.7b00914 .
Bogdanović, Goran A., Ostojić, Bojana, Novakovic, Sladjana B., "Short Intramolecular O···O Contact in Some o-Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area" in Crystal Growth & Design, 18, no. 3 (2018):1303-1314,
https://doi.org/10.1021/acs.cgd.7b00914 . .
4
3
4

Short Intramolecular O···O Contact in Some o-Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area

Bogdanović, Goran A.; Ostojić, Bojana; Novakovic, Sladjana B.

(American Chemical Society (ACS), 2018)

TY  - JOUR
AU  - Bogdanović, Goran A.
AU  - Ostojić, Bojana
AU  - Novakovic, Sladjana B.
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2322
AB  - Statistical analysis of data extracted from the Cambridge Structural Database (CSD) has been used to investigate the crystal structure properties of odialkoxybenzene derivatives, compounds containing two ether oxygen acceptors in ortho positions of benzene ring. It has been shown that in more than 90% of cases, the fragment has predictable geometrical characteristics where the two ether oxygens form short interatomic O center dot center dot center dot O contact (2.57 A in average), while O-substitutents take trans position, both approximately coplanar with the benzene ring. Such arrangement of oxygen acceptors produces a large and uniform area of the negative electrostatic potential suitable for multiple hydrogen bonding. The acceptor abilities of the O center dot center dot center dot O system have been investigated by the statistical CSD analysis. The ab initio estimation of the interaction energy in the dimer of o-dimethoxybenzene (DMB) and H2O, employed as a model system, is achieved via high-level electron correlation CCSD(T) calculation with the complete basis set extrapolation. The interaction energy is estimated to be 6.5 kcal/mol. The results indicate the existence of a very flat potential the region between methoxy oxygens and that DMB water is a highly flexible system. The structural role of the O center dot center dot center dot O acceptor system is particularly interesting considering its ability to form multiple hydrogen bonding
PB  - American Chemical Society (ACS)
T2  - Crystal Growth & Design
T1  - Short Intramolecular O···O Contact in Some o-Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area
VL  - 18
IS  - 3
SP  - 1303
EP  - 1314
DO  - 10.1021/acs.cgd.7b00914
ER  - 
@article{
author = "Bogdanović, Goran A. and Ostojić, Bojana and Novakovic, Sladjana B.",
year = "2018",
abstract = "Statistical analysis of data extracted from the Cambridge Structural Database (CSD) has been used to investigate the crystal structure properties of odialkoxybenzene derivatives, compounds containing two ether oxygen acceptors in ortho positions of benzene ring. It has been shown that in more than 90% of cases, the fragment has predictable geometrical characteristics where the two ether oxygens form short interatomic O center dot center dot center dot O contact (2.57 A in average), while O-substitutents take trans position, both approximately coplanar with the benzene ring. Such arrangement of oxygen acceptors produces a large and uniform area of the negative electrostatic potential suitable for multiple hydrogen bonding. The acceptor abilities of the O center dot center dot center dot O system have been investigated by the statistical CSD analysis. The ab initio estimation of the interaction energy in the dimer of o-dimethoxybenzene (DMB) and H2O, employed as a model system, is achieved via high-level electron correlation CCSD(T) calculation with the complete basis set extrapolation. The interaction energy is estimated to be 6.5 kcal/mol. The results indicate the existence of a very flat potential the region between methoxy oxygens and that DMB water is a highly flexible system. The structural role of the O center dot center dot center dot O acceptor system is particularly interesting considering its ability to form multiple hydrogen bonding",
publisher = "American Chemical Society (ACS)",
journal = "Crystal Growth & Design",
title = "Short Intramolecular O···O Contact in Some o-Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area",
volume = "18",
number = "3",
pages = "1303-1314",
doi = "10.1021/acs.cgd.7b00914"
}
Bogdanović, G. A., Ostojić, B.,& Novakovic, S. B.. (2018). Short Intramolecular O···O Contact in Some o-Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area. in Crystal Growth & Design
American Chemical Society (ACS)., 18(3), 1303-1314.
https://doi.org/10.1021/acs.cgd.7b00914
Bogdanović GA, Ostojić B, Novakovic SB. Short Intramolecular O···O Contact in Some o-Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area. in Crystal Growth & Design. 2018;18(3):1303-1314.
doi:10.1021/acs.cgd.7b00914 .
Bogdanović, Goran A., Ostojić, Bojana, Novakovic, Sladjana B., "Short Intramolecular O···O Contact in Some o-Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area" in Crystal Growth & Design, 18, no. 3 (2018):1303-1314,
https://doi.org/10.1021/acs.cgd.7b00914 . .
4
3
4

Transition Metal Complexes with 1-Adamantoyl Hydrazones - Cytotoxic Copper(II) Complexes of Tri- and Tetradentate Pyridine Chelators Containing an Adamantane Ring System

Leovac, Vukadin; Rodić, Marko V.; Jovanović, Ljiljana S.; Joksovic, Milan D.; Stanojković, Tatjana; Vujčić, Miroslava; Sladić, Dušan; Markovic, Violeta; Vojinovic-Jesic, Ljiljana S

(Wiley-V C H Verlag Gmbh, Weinheim, 2015)

TY  - JOUR
AU  - Leovac, Vukadin
AU  - Rodić, Marko V.
AU  - Jovanović, Ljiljana S.
AU  - Joksovic, Milan D.
AU  - Stanojković, Tatjana
AU  - Vujčić, Miroslava
AU  - Sladić, Dušan
AU  - Markovic, Violeta
AU  - Vojinovic-Jesic, Ljiljana S
PY  - 2015
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1735
AB  - Five pentacoordinate copper(II) complexes with 2-acetylpyridine or di(2-pyridyl) ketone 1-adamantoyl hydrazone ligands (Adpy and Addpy, respectively) of the formulae [CuCl2(Adpy)] (1), [Cu-2(-Cl)(2)(Adpy-H)(2)] (2), [Cu(NCS)(2)(Adpy)] (3), [Cu-2(-Cl)(2)(Addpy-H)(2)] (4), and [Cu-2(NCS)(2)(-Addpy-H)(2)] (5) were synthesized and characterized by spectral, electrochemical, and X-ray structural analysis. Flow cytometry and morphological analysis confirmed that the copper(II) complexes 2 and 5 induced accumulation of a sub-G1 phase population, and fluorescence microscopy indicated the presence of large cells in apoptosis. The interaction of the copper(II) complexes with calf thymus DNA (CT-DNA) was monitored by changes in their UV/Vis spectra. The observed intrinsic binding constants for 2 and 5 (K-b = 1.77x10(6) and 3.58x10(6) M-1, respectively) together with ethidium displacement fluorescence experiments indicate intercalative binding. Complexes 2 and 5 showed nuclease activity against pUC19 plasmid DNA.
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - European Journal of Inorganic Chemistry
T1  - Transition Metal Complexes with 1-Adamantoyl Hydrazones - Cytotoxic Copper(II) Complexes of Tri- and Tetradentate Pyridine Chelators Containing an Adamantane Ring System
IS  - 5
SP  - 882
EP  - 895
DO  - 10.1002/ejic.201403050
ER  - 
@article{
author = "Leovac, Vukadin and Rodić, Marko V. and Jovanović, Ljiljana S. and Joksovic, Milan D. and Stanojković, Tatjana and Vujčić, Miroslava and Sladić, Dušan and Markovic, Violeta and Vojinovic-Jesic, Ljiljana S",
year = "2015",
abstract = "Five pentacoordinate copper(II) complexes with 2-acetylpyridine or di(2-pyridyl) ketone 1-adamantoyl hydrazone ligands (Adpy and Addpy, respectively) of the formulae [CuCl2(Adpy)] (1), [Cu-2(-Cl)(2)(Adpy-H)(2)] (2), [Cu(NCS)(2)(Adpy)] (3), [Cu-2(-Cl)(2)(Addpy-H)(2)] (4), and [Cu-2(NCS)(2)(-Addpy-H)(2)] (5) were synthesized and characterized by spectral, electrochemical, and X-ray structural analysis. Flow cytometry and morphological analysis confirmed that the copper(II) complexes 2 and 5 induced accumulation of a sub-G1 phase population, and fluorescence microscopy indicated the presence of large cells in apoptosis. The interaction of the copper(II) complexes with calf thymus DNA (CT-DNA) was monitored by changes in their UV/Vis spectra. The observed intrinsic binding constants for 2 and 5 (K-b = 1.77x10(6) and 3.58x10(6) M-1, respectively) together with ethidium displacement fluorescence experiments indicate intercalative binding. Complexes 2 and 5 showed nuclease activity against pUC19 plasmid DNA.",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "European Journal of Inorganic Chemistry",
title = "Transition Metal Complexes with 1-Adamantoyl Hydrazones - Cytotoxic Copper(II) Complexes of Tri- and Tetradentate Pyridine Chelators Containing an Adamantane Ring System",
number = "5",
pages = "882-895",
doi = "10.1002/ejic.201403050"
}
Leovac, V., Rodić, M. V., Jovanović, L. S., Joksovic, M. D., Stanojković, T., Vujčić, M., Sladić, D., Markovic, V.,& Vojinovic-Jesic, L. S.. (2015). Transition Metal Complexes with 1-Adamantoyl Hydrazones - Cytotoxic Copper(II) Complexes of Tri- and Tetradentate Pyridine Chelators Containing an Adamantane Ring System. in European Journal of Inorganic Chemistry
Wiley-V C H Verlag Gmbh, Weinheim.(5), 882-895.
https://doi.org/10.1002/ejic.201403050
Leovac V, Rodić MV, Jovanović LS, Joksovic MD, Stanojković T, Vujčić M, Sladić D, Markovic V, Vojinovic-Jesic LS. Transition Metal Complexes with 1-Adamantoyl Hydrazones - Cytotoxic Copper(II) Complexes of Tri- and Tetradentate Pyridine Chelators Containing an Adamantane Ring System. in European Journal of Inorganic Chemistry. 2015;(5):882-895.
doi:10.1002/ejic.201403050 .
Leovac, Vukadin, Rodić, Marko V., Jovanović, Ljiljana S., Joksovic, Milan D., Stanojković, Tatjana, Vujčić, Miroslava, Sladić, Dušan, Markovic, Violeta, Vojinovic-Jesic, Ljiljana S, "Transition Metal Complexes with 1-Adamantoyl Hydrazones - Cytotoxic Copper(II) Complexes of Tri- and Tetradentate Pyridine Chelators Containing an Adamantane Ring System" in European Journal of Inorganic Chemistry, no. 5 (2015):882-895,
https://doi.org/10.1002/ejic.201403050 . .
1
27
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Electronic features and hydrogen bonding capacity of the sulfur acceptor in thioureido-based compounds. Part 2. Further insight by theoretical charge density study

Francuski, Bojana M; Novakovic, Sladjana B; Ostojić, Bojana; Francuski, Djordje D; Bogdanović, Goran A.

(Elsevier, 2015)

TY  - JOUR
AU  - Francuski, Bojana M
AU  - Novakovic, Sladjana B
AU  - Ostojić, Bojana
AU  - Francuski, Djordje D
AU  - Bogdanović, Goran A.
PY  - 2015
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1621
AB  - Theoretical charge density analysis of the thioureido based compound 4-methyl-3-thiosemicarbazide (MeTSC) is used in this study with the aim to provide additional insight into electronic features of the thioureido sulfur acceptor and the corresponding D-H...S hydrogen bonding (D=N, C). The present work is motivated by our earlier experimental charge density study on the same compound that pointed out to a great flexibility of the thioureido S acceptor and its ability to adjust the lone pair electron density to the donor groups in simultaneous hydrogen bonding. Through the additional theoretical approach we were able to single out different fragments of MeTSC crystal and to carefully follow the changes in electron density properties of the S acceptors belonging to: isolated MeTSC monomers (i.e. two crystallographically independent molecules), eight D-H...S bonded dimers and MeTSC molecules placed in full crystal environment, where each S atom engages in four hydrogen bonds. Deformation density of the sulfur's lone electron pair, topological properties of D-H...S interactions and electrostatic potential are here examined in order to comprehend the mutual influence and potential cooperative effects of the four simultaneously formed interactions to each of the S acceptors. The hydrogen bonding involving thioureido S acceptor is also investigated in terms of the energetic properties of the eight real MeTSC dimers existing in the crystal structure, and additional systems MeTSC/MeOH and acetone/MeOH. The latter systems are designed with the purpose of direct comparison and ranking of interactions involving thioureido S to those involving more conventional, carbonyl O acceptor. Energetic features were thoroughly studied through electrostatic interactions energies (XD2006), cohesive energies (CRYSTAL09) and ab initio approach employing the coupled-cluster single S and doubles augmented by a perturbational correction for connected triple excitations (CCSD(T)) method.
PB  - Elsevier
T2  - Computational and Theoretical Chemistry
T1  - Electronic features and hydrogen bonding capacity of the sulfur acceptor in thioureido-based compounds. Part 2. Further insight by theoretical charge density study
VL  - 1067
SP  - 93
EP  - 102
DO  - 10.1016/j.comptc.2015.05.024
ER  - 
@article{
author = "Francuski, Bojana M and Novakovic, Sladjana B and Ostojić, Bojana and Francuski, Djordje D and Bogdanović, Goran A.",
year = "2015",
abstract = "Theoretical charge density analysis of the thioureido based compound 4-methyl-3-thiosemicarbazide (MeTSC) is used in this study with the aim to provide additional insight into electronic features of the thioureido sulfur acceptor and the corresponding D-H...S hydrogen bonding (D=N, C). The present work is motivated by our earlier experimental charge density study on the same compound that pointed out to a great flexibility of the thioureido S acceptor and its ability to adjust the lone pair electron density to the donor groups in simultaneous hydrogen bonding. Through the additional theoretical approach we were able to single out different fragments of MeTSC crystal and to carefully follow the changes in electron density properties of the S acceptors belonging to: isolated MeTSC monomers (i.e. two crystallographically independent molecules), eight D-H...S bonded dimers and MeTSC molecules placed in full crystal environment, where each S atom engages in four hydrogen bonds. Deformation density of the sulfur's lone electron pair, topological properties of D-H...S interactions and electrostatic potential are here examined in order to comprehend the mutual influence and potential cooperative effects of the four simultaneously formed interactions to each of the S acceptors. The hydrogen bonding involving thioureido S acceptor is also investigated in terms of the energetic properties of the eight real MeTSC dimers existing in the crystal structure, and additional systems MeTSC/MeOH and acetone/MeOH. The latter systems are designed with the purpose of direct comparison and ranking of interactions involving thioureido S to those involving more conventional, carbonyl O acceptor. Energetic features were thoroughly studied through electrostatic interactions energies (XD2006), cohesive energies (CRYSTAL09) and ab initio approach employing the coupled-cluster single S and doubles augmented by a perturbational correction for connected triple excitations (CCSD(T)) method.",
publisher = "Elsevier",
journal = "Computational and Theoretical Chemistry",
title = "Electronic features and hydrogen bonding capacity of the sulfur acceptor in thioureido-based compounds. Part 2. Further insight by theoretical charge density study",
volume = "1067",
pages = "93-102",
doi = "10.1016/j.comptc.2015.05.024"
}
Francuski, B. M., Novakovic, S. B., Ostojić, B., Francuski, D. D.,& Bogdanović, G. A.. (2015). Electronic features and hydrogen bonding capacity of the sulfur acceptor in thioureido-based compounds. Part 2. Further insight by theoretical charge density study. in Computational and Theoretical Chemistry
Elsevier., 1067, 93-102.
https://doi.org/10.1016/j.comptc.2015.05.024
Francuski BM, Novakovic SB, Ostojić B, Francuski DD, Bogdanović GA. Electronic features and hydrogen bonding capacity of the sulfur acceptor in thioureido-based compounds. Part 2. Further insight by theoretical charge density study. in Computational and Theoretical Chemistry. 2015;1067:93-102.
doi:10.1016/j.comptc.2015.05.024 .
Francuski, Bojana M, Novakovic, Sladjana B, Ostojić, Bojana, Francuski, Djordje D, Bogdanović, Goran A., "Electronic features and hydrogen bonding capacity of the sulfur acceptor in thioureido-based compounds. Part 2. Further insight by theoretical charge density study" in Computational and Theoretical Chemistry, 1067 (2015):93-102,
https://doi.org/10.1016/j.comptc.2015.05.024 . .
2
2
2

Synthesis, characterization and crystal structure of Cu(II) complex with a diimine-dioxime ligand, [Cu-2(LH)(2)](ClO4)(2). Influence of the weak Cu center dot center dot center dot O(perchlorate) interaction on the structure of the Cu2N2O2 metallocycle

Mirković, Marija; Nikolic, Nadezda; Mijin, Dušan; Avramov Ivić, Milka; Kapor, Agnes; Tomić, Zoran D.

(Serbian Chemical Society, 2014)

TY  - JOUR
AU  - Mirković, Marija
AU  - Nikolic, Nadezda
AU  - Mijin, Dušan
AU  - Avramov Ivić, Milka
AU  - Kapor, Agnes
AU  - Tomić, Zoran D.
PY  - 2014
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1588
AB  - The diimine dioxime ligand, 3,3'-(1,4-butanediyl-dinitrilo)bis-2-pentanone, 2,2'-dioxime (LH2), containing a N-4 donor set was prepared by the Schiff base condensation of 2-hydroxyimino-3-pentanone and 1,4-diaminobutane in two ways: in a protic and in an aprotic solvent. A higher yield of the (LH2) imine was obtained when the synthesis was performed using a protic solvent (C2H5OH) instead of aprotic benzene (78 and 30 %, respectively). The Cu(II) metal complex of diimine dioxime was synthesized in CH3OH from the perchlorate salt of LH2 in a 1:1 mole ratio. The isolated complex was characterized by the elemental analysis, IR spectroscopy and cyclic voltammetry. The structure of [Cu-2(LH)(2)](ClO4)(2) was determined by single-crystal X-ray diffraction analysis. Comparison with structurally related diimine dioxime Cu(II) complexes revealed the influence of a weak Cu center dot center dot center dot O(perchlorate) interaction on the geometry of the metallocycle.
PB  - Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Synthesis, characterization and crystal structure of Cu(II) complex with a diimine-dioxime ligand, [Cu-2(LH)(2)](ClO4)(2). Influence of the weak Cu center dot center dot center dot O(perchlorate) interaction on the structure of the Cu2N2O2 metallocycle
VL  - 79
IS  - 5
SP  - 545
EP  - 556
DO  - 10.2298/JSC130910120M
ER  - 
@article{
author = "Mirković, Marija and Nikolic, Nadezda and Mijin, Dušan and Avramov Ivić, Milka and Kapor, Agnes and Tomić, Zoran D.",
year = "2014",
abstract = "The diimine dioxime ligand, 3,3'-(1,4-butanediyl-dinitrilo)bis-2-pentanone, 2,2'-dioxime (LH2), containing a N-4 donor set was prepared by the Schiff base condensation of 2-hydroxyimino-3-pentanone and 1,4-diaminobutane in two ways: in a protic and in an aprotic solvent. A higher yield of the (LH2) imine was obtained when the synthesis was performed using a protic solvent (C2H5OH) instead of aprotic benzene (78 and 30 %, respectively). The Cu(II) metal complex of diimine dioxime was synthesized in CH3OH from the perchlorate salt of LH2 in a 1:1 mole ratio. The isolated complex was characterized by the elemental analysis, IR spectroscopy and cyclic voltammetry. The structure of [Cu-2(LH)(2)](ClO4)(2) was determined by single-crystal X-ray diffraction analysis. Comparison with structurally related diimine dioxime Cu(II) complexes revealed the influence of a weak Cu center dot center dot center dot O(perchlorate) interaction on the geometry of the metallocycle.",
publisher = "Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Synthesis, characterization and crystal structure of Cu(II) complex with a diimine-dioxime ligand, [Cu-2(LH)(2)](ClO4)(2). Influence of the weak Cu center dot center dot center dot O(perchlorate) interaction on the structure of the Cu2N2O2 metallocycle",
volume = "79",
number = "5",
pages = "545-556",
doi = "10.2298/JSC130910120M"
}
Mirković, M., Nikolic, N., Mijin, D., Avramov Ivić, M., Kapor, A.,& Tomić, Z. D.. (2014). Synthesis, characterization and crystal structure of Cu(II) complex with a diimine-dioxime ligand, [Cu-2(LH)(2)](ClO4)(2). Influence of the weak Cu center dot center dot center dot O(perchlorate) interaction on the structure of the Cu2N2O2 metallocycle. in Journal of the Serbian Chemical Society
Serbian Chemical Society., 79(5), 545-556.
https://doi.org/10.2298/JSC130910120M
Mirković M, Nikolic N, Mijin D, Avramov Ivić M, Kapor A, Tomić ZD. Synthesis, characterization and crystal structure of Cu(II) complex with a diimine-dioxime ligand, [Cu-2(LH)(2)](ClO4)(2). Influence of the weak Cu center dot center dot center dot O(perchlorate) interaction on the structure of the Cu2N2O2 metallocycle. in Journal of the Serbian Chemical Society. 2014;79(5):545-556.
doi:10.2298/JSC130910120M .
Mirković, Marija, Nikolic, Nadezda, Mijin, Dušan, Avramov Ivić, Milka, Kapor, Agnes, Tomić, Zoran D., "Synthesis, characterization and crystal structure of Cu(II) complex with a diimine-dioxime ligand, [Cu-2(LH)(2)](ClO4)(2). Influence of the weak Cu center dot center dot center dot O(perchlorate) interaction on the structure of the Cu2N2O2 metallocycle" in Journal of the Serbian Chemical Society, 79, no. 5 (2014):545-556,
https://doi.org/10.2298/JSC130910120M . .
1
1
1

Preparation, characterisation and study of in vitro biologically active azamacrocyclic Cu(II) dicarboxylate complexes

Antonijevic-Nikolic, Mirjana; Antić Stanković, Jelena; Tanasković, Slađana B.; Korabik, Maria J.; Gojgić-Cvijović, Gordana; Vuckovic, Gordana

(Elsevier, 2013)

TY  - JOUR
AU  - Antonijevic-Nikolic, Mirjana
AU  - Antić Stanković, Jelena
AU  - Tanasković, Slađana B.
AU  - Korabik, Maria J.
AU  - Gojgić-Cvijović, Gordana
AU  - Vuckovic, Gordana
PY  - 2013
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1259
AB  - New cationic Cu(II) complexes with N, N', N '', N'''-tetrakis(2-pyridylmethyl)-1,4,8,11-tetraazacyclotetradecane (tpmc) and aliphatic dicarboxylic acids: pentanedioic (glutaric acid = glutH(2)), hexanedioic acid (adipic acid = adipH(2)) and decanedioic acid (sebacic acid = sebH(2)) of general formula [Cu-4(L)(tpmc)(2)] (ClO4)(6)center dot xH(2)O, L = glut, x = 2; L = adip, x = 7; L = seb, x = 6 were isolated. Their composition and charges are proposed based on elemental analyses and molar conductivity measurements. By the comparison of their UV-Vis, reflectance, FTIR and EPR spectral data, CV and SQUID magnetic measurements, with those for the complex with butanedioic acid (succinic acid = succH(2)) of known molecular structure and analysis of LC/MS spectra, geometry with two [Cu(2)tpmc](4) units bridged by dicarboxylate dianion engaging all oxygens is proposed. Within units, Cu(II) ions are also bridged with -N- portion of cyclam ring. All four complexes were screened to in vitro antimicrobial and cytotoxic activity along with free primary and secondary ligands, Cu(II) salt and solvent controls. Detected antibacterial and cytotoxic activity for the complexes was enhanced in most cases than the corresponding controls.
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Preparation, characterisation and study of in vitro biologically active azamacrocyclic Cu(II) dicarboxylate complexes
VL  - 1054
SP  - 297
EP  - 306
DO  - 10.1016/j.molstruc.2013.10.006
ER  - 
@article{
author = "Antonijevic-Nikolic, Mirjana and Antić Stanković, Jelena and Tanasković, Slađana B. and Korabik, Maria J. and Gojgić-Cvijović, Gordana and Vuckovic, Gordana",
year = "2013",
abstract = "New cationic Cu(II) complexes with N, N', N '', N'''-tetrakis(2-pyridylmethyl)-1,4,8,11-tetraazacyclotetradecane (tpmc) and aliphatic dicarboxylic acids: pentanedioic (glutaric acid = glutH(2)), hexanedioic acid (adipic acid = adipH(2)) and decanedioic acid (sebacic acid = sebH(2)) of general formula [Cu-4(L)(tpmc)(2)] (ClO4)(6)center dot xH(2)O, L = glut, x = 2; L = adip, x = 7; L = seb, x = 6 were isolated. Their composition and charges are proposed based on elemental analyses and molar conductivity measurements. By the comparison of their UV-Vis, reflectance, FTIR and EPR spectral data, CV and SQUID magnetic measurements, with those for the complex with butanedioic acid (succinic acid = succH(2)) of known molecular structure and analysis of LC/MS spectra, geometry with two [Cu(2)tpmc](4) units bridged by dicarboxylate dianion engaging all oxygens is proposed. Within units, Cu(II) ions are also bridged with -N- portion of cyclam ring. All four complexes were screened to in vitro antimicrobial and cytotoxic activity along with free primary and secondary ligands, Cu(II) salt and solvent controls. Detected antibacterial and cytotoxic activity for the complexes was enhanced in most cases than the corresponding controls.",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Preparation, characterisation and study of in vitro biologically active azamacrocyclic Cu(II) dicarboxylate complexes",
volume = "1054",
pages = "297-306",
doi = "10.1016/j.molstruc.2013.10.006"
}
Antonijevic-Nikolic, M., Antić Stanković, J., Tanasković, S. B., Korabik, M. J., Gojgić-Cvijović, G.,& Vuckovic, G.. (2013). Preparation, characterisation and study of in vitro biologically active azamacrocyclic Cu(II) dicarboxylate complexes. in Journal of Molecular Structure
Elsevier., 1054, 297-306.
https://doi.org/10.1016/j.molstruc.2013.10.006
Antonijevic-Nikolic M, Antić Stanković J, Tanasković SB, Korabik MJ, Gojgić-Cvijović G, Vuckovic G. Preparation, characterisation and study of in vitro biologically active azamacrocyclic Cu(II) dicarboxylate complexes. in Journal of Molecular Structure. 2013;1054:297-306.
doi:10.1016/j.molstruc.2013.10.006 .
Antonijevic-Nikolic, Mirjana, Antić Stanković, Jelena, Tanasković, Slađana B., Korabik, Maria J., Gojgić-Cvijović, Gordana, Vuckovic, Gordana, "Preparation, characterisation and study of in vitro biologically active azamacrocyclic Cu(II) dicarboxylate complexes" in Journal of Molecular Structure, 1054 (2013):297-306,
https://doi.org/10.1016/j.molstruc.2013.10.006 . .
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Spectroscopic properties and antimicrobial activity of dioxomolybdenum(VI) complexes with heterocyclic S,S'-ligands

Sovilj, Sofija P.; Mitić, Dragana; Drakulić, Branko; Milenković, Marina

(Srpsko hemijsko društvo, Beograd, 2012)

TY  - JOUR
AU  - Sovilj, Sofija P.
AU  - Mitić, Dragana
AU  - Drakulić, Branko
AU  - Milenković, Marina
PY  - 2012
UR  - http://farfar.pharmacy.bg.ac.rs/handle/123456789/1819
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1247
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3646
AB  - Five new dioxomolybdenum(VI) complexes of the general formula [MoO2(Rdtc)2], 1-5, where Rdtc- refer to piperidine (Pipdtc), 4-morpholine (Morphdtc), 4-thiomorpholine (Timdtc), piperazine (Pzdtc) or N-methylpiperazine (N-Mepzdtc) dithiocarbamates, respectively, have been prepared. The complexes were characterized by elemental analysis, conductometric measurements, electronic, IR and NMR spectroscopy. The complexes 1-5 contain a cis-MoO2 group and have an octahedral geometry. Two dithiocarbamato ions join as bidentates with both the sulfur atoms to the molybdenum atom. The presence of different heteroatoms in the piperidino moiety influences the v(C=N) and v(C=S) vibrations, which wavelengths decrease in the order: Pipdtc > N-Mepzdtc > Morphdtc > Pzdtc > Timdtc ligands. Based on their spectral data, the molecular structures of complexes 1-5 were optimized at the semi-empirical molecular-orbital level, and the geometries, as obtained from calculations, are described. The antimicrobial activities of the complexes were tested against nine different laboratory control strains of bacteria and two strains of the yeast Candida albicans. All the tested strains were sensitive. Complexes bearing heteroatom in position 4 of piperidine moiety were significantly more potent against the tested bacteria compared to the corresponding ligands.
AB  - Sintetisano je pet novih dioksomolibden(VI) kompleksa, opšte formule [MoO2(Rdtc-)2], sa Rdtc- ligandima: piperidin- (Pipdtc), 4-morfolin- (Morphdtc), 4-tiomorfolin- (Timdtc), piperazin- (Pzdtc) i N-metilpiperazin- (N-Mepzdtc) ditiokarbamatima. Kompleksi su okarakterisani elementalnom analizom, IR i NMR spektroskopijom kao i merenjem molarne provodljivosti. Pretpostavljena geometrija svih kompleksa je oktaedarska. Rdtc- ligandi su bidentatno koordinovani preko oba atoma sumpora za atom molibdena. Prisustvo različitih heteroatoma utiče na promenu položaja v(C=N) i v(C=S) vibracija, čiji opada sledećim redom liganada: Pipdtc > N-Mepzdtc > Morphdt > Pzdtc > Timdtc. Na osnovu spektralnih podataka, strukture svih kompleksa su optimizovane na semiempirijskom molekulsko-orbitalnom nivou upotrebom PM6 metoda. Antimikrobna aktivnost ispitivana je na jedanaest različitih patogena. Uočeno je da kompleksi koji imaju heteroatom u položaju 4 piperidinskog prstena ispoljavaju značajno veću jačinu antimikrobnog dejstva prema bakterijama, u poređenju sa odgovarajućim ligandima.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of the Serbian Chemical Society
T1  - Spectroscopic properties and antimicrobial activity of dioxomolybdenum(VI) complexes with heterocyclic S,S'-ligands
T1  - Spektroskopska svojstva i antimikrobna aktivnost dioksomolibden(VI) kompleksa sa heterocikličnim S,S'-ligandima
VL  - 77
IS  - 1
SP  - 53
EP  - 66
DO  - 10.2298/JSC110328160S
ER  - 
@article{
author = "Sovilj, Sofija P. and Mitić, Dragana and Drakulić, Branko and Milenković, Marina",
year = "2012",
abstract = "Five new dioxomolybdenum(VI) complexes of the general formula [MoO2(Rdtc)2], 1-5, where Rdtc- refer to piperidine (Pipdtc), 4-morpholine (Morphdtc), 4-thiomorpholine (Timdtc), piperazine (Pzdtc) or N-methylpiperazine (N-Mepzdtc) dithiocarbamates, respectively, have been prepared. The complexes were characterized by elemental analysis, conductometric measurements, electronic, IR and NMR spectroscopy. The complexes 1-5 contain a cis-MoO2 group and have an octahedral geometry. Two dithiocarbamato ions join as bidentates with both the sulfur atoms to the molybdenum atom. The presence of different heteroatoms in the piperidino moiety influences the v(C=N) and v(C=S) vibrations, which wavelengths decrease in the order: Pipdtc > N-Mepzdtc > Morphdtc > Pzdtc > Timdtc ligands. Based on their spectral data, the molecular structures of complexes 1-5 were optimized at the semi-empirical molecular-orbital level, and the geometries, as obtained from calculations, are described. The antimicrobial activities of the complexes were tested against nine different laboratory control strains of bacteria and two strains of the yeast Candida albicans. All the tested strains were sensitive. Complexes bearing heteroatom in position 4 of piperidine moiety were significantly more potent against the tested bacteria compared to the corresponding ligands., Sintetisano je pet novih dioksomolibden(VI) kompleksa, opšte formule [MoO2(Rdtc-)2], sa Rdtc- ligandima: piperidin- (Pipdtc), 4-morfolin- (Morphdtc), 4-tiomorfolin- (Timdtc), piperazin- (Pzdtc) i N-metilpiperazin- (N-Mepzdtc) ditiokarbamatima. Kompleksi su okarakterisani elementalnom analizom, IR i NMR spektroskopijom kao i merenjem molarne provodljivosti. Pretpostavljena geometrija svih kompleksa je oktaedarska. Rdtc- ligandi su bidentatno koordinovani preko oba atoma sumpora za atom molibdena. Prisustvo različitih heteroatoma utiče na promenu položaja v(C=N) i v(C=S) vibracija, čiji opada sledećim redom liganada: Pipdtc > N-Mepzdtc > Morphdt > Pzdtc > Timdtc. Na osnovu spektralnih podataka, strukture svih kompleksa su optimizovane na semiempirijskom molekulsko-orbitalnom nivou upotrebom PM6 metoda. Antimikrobna aktivnost ispitivana je na jedanaest različitih patogena. Uočeno je da kompleksi koji imaju heteroatom u položaju 4 piperidinskog prstena ispoljavaju značajno veću jačinu antimikrobnog dejstva prema bakterijama, u poređenju sa odgovarajućim ligandima.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of the Serbian Chemical Society",
title = "Spectroscopic properties and antimicrobial activity of dioxomolybdenum(VI) complexes with heterocyclic S,S'-ligands, Spektroskopska svojstva i antimikrobna aktivnost dioksomolibden(VI) kompleksa sa heterocikličnim S,S'-ligandima",
volume = "77",
number = "1",
pages = "53-66",
doi = "10.2298/JSC110328160S"
}
Sovilj, S. P., Mitić, D., Drakulić, B.,& Milenković, M.. (2012). Spectroscopic properties and antimicrobial activity of dioxomolybdenum(VI) complexes with heterocyclic S,S'-ligands. in Journal of the Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 77(1), 53-66.
https://doi.org/10.2298/JSC110328160S
Sovilj SP, Mitić D, Drakulić B, Milenković M. Spectroscopic properties and antimicrobial activity of dioxomolybdenum(VI) complexes with heterocyclic S,S'-ligands. in Journal of the Serbian Chemical Society. 2012;77(1):53-66.
doi:10.2298/JSC110328160S .
Sovilj, Sofija P., Mitić, Dragana, Drakulić, Branko, Milenković, Marina, "Spectroscopic properties and antimicrobial activity of dioxomolybdenum(VI) complexes with heterocyclic S,S'-ligands" in Journal of the Serbian Chemical Society, 77, no. 1 (2012):53-66,
https://doi.org/10.2298/JSC110328160S . .
2
3
3

Binuclear biologically active Co(II) complexes with octazamacrocycle and aliphatic dicarboxylates

Tanasković, Slađana B.; Vuckovic, G.; Antonijevic-Nikolic, M.; Stanojković, Tatjana; Gojgić-Cvijović, Gordana

(Elsevier, 2012)

TY  - JOUR
AU  - Tanasković, Slađana B.
AU  - Vuckovic, G.
AU  - Antonijevic-Nikolic, M.
AU  - Stanojković, Tatjana
AU  - Gojgić-Cvijović, Gordana
PY  - 2012
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1093
AB  - Four new cationic Co(II) complexes with N,N',N '',N'''-tetrakis (2-pyridylmethyl)-1,4,8,11-tetraazacyclotetradecane (tpmc) and dianion of one the aliphatic dicarboxylic acids: butanedioic acid (succinic) acid = succH(2), pentanedioic (glutaric) acid = gluH(2), hexanedioic acid (adipic) acid = adipH(2) or decanedioic acid (sebacic) acid = sebH(2) of general formula [Co-2(L)(tpmc)](ClO4)(2)center dot xY, L2- = succ, x = 1, Y = H2O; L = glu, x = 1, Y = H2O; L = adip, x = 1.5, Y = H2O; L = seb, x = 1, Y = CH3CN were isolated. The composition and charge are proposed based on elemental analyses (C, H. N) and electrical conductivity measurements. UV-Vis and FTIR spectral data and magnetic moments were in accordance with high-spin Co(II) state. It is proposed that in all complexes Co(II) is hexa-coordinated out of cyclam ring and that both carboxylic groups from dicarboxylate bridge participate in coordination. Oxygens from one group are most likely bonded to the same Co(II) ion thus forming a four-membered ring. The in vitro antibacterial/antiproliferative activities of the complexes were in some cases enhanced compared with the simple Co(II) salt and free ligands, tested as controls.
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Binuclear biologically active Co(II) complexes with octazamacrocycle and aliphatic dicarboxylates
VL  - 1029
SP  - 1
EP  - 7
DO  - 10.1016/j.molstruc.2012.06.055
ER  - 
@article{
author = "Tanasković, Slađana B. and Vuckovic, G. and Antonijevic-Nikolic, M. and Stanojković, Tatjana and Gojgić-Cvijović, Gordana",
year = "2012",
abstract = "Four new cationic Co(II) complexes with N,N',N '',N'''-tetrakis (2-pyridylmethyl)-1,4,8,11-tetraazacyclotetradecane (tpmc) and dianion of one the aliphatic dicarboxylic acids: butanedioic acid (succinic) acid = succH(2), pentanedioic (glutaric) acid = gluH(2), hexanedioic acid (adipic) acid = adipH(2) or decanedioic acid (sebacic) acid = sebH(2) of general formula [Co-2(L)(tpmc)](ClO4)(2)center dot xY, L2- = succ, x = 1, Y = H2O; L = glu, x = 1, Y = H2O; L = adip, x = 1.5, Y = H2O; L = seb, x = 1, Y = CH3CN were isolated. The composition and charge are proposed based on elemental analyses (C, H. N) and electrical conductivity measurements. UV-Vis and FTIR spectral data and magnetic moments were in accordance with high-spin Co(II) state. It is proposed that in all complexes Co(II) is hexa-coordinated out of cyclam ring and that both carboxylic groups from dicarboxylate bridge participate in coordination. Oxygens from one group are most likely bonded to the same Co(II) ion thus forming a four-membered ring. The in vitro antibacterial/antiproliferative activities of the complexes were in some cases enhanced compared with the simple Co(II) salt and free ligands, tested as controls.",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Binuclear biologically active Co(II) complexes with octazamacrocycle and aliphatic dicarboxylates",
volume = "1029",
pages = "1-7",
doi = "10.1016/j.molstruc.2012.06.055"
}
Tanasković, S. B., Vuckovic, G., Antonijevic-Nikolic, M., Stanojković, T.,& Gojgić-Cvijović, G.. (2012). Binuclear biologically active Co(II) complexes with octazamacrocycle and aliphatic dicarboxylates. in Journal of Molecular Structure
Elsevier., 1029, 1-7.
https://doi.org/10.1016/j.molstruc.2012.06.055
Tanasković SB, Vuckovic G, Antonijevic-Nikolic M, Stanojković T, Gojgić-Cvijović G. Binuclear biologically active Co(II) complexes with octazamacrocycle and aliphatic dicarboxylates. in Journal of Molecular Structure. 2012;1029:1-7.
doi:10.1016/j.molstruc.2012.06.055 .
Tanasković, Slađana B., Vuckovic, G., Antonijevic-Nikolic, M., Stanojković, Tatjana, Gojgić-Cvijović, Gordana, "Binuclear biologically active Co(II) complexes with octazamacrocycle and aliphatic dicarboxylates" in Journal of Molecular Structure, 1029 (2012):1-7,
https://doi.org/10.1016/j.molstruc.2012.06.055 . .
6
6
8