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Structural diversity of isothiocyanato Cd(II) and Zn(II) Girard's T hydrazone complexes in solution and solid state: effect of H-bonding on coordination number and supramolecular assembly of Cd(II) complex in solid state

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2018
Authors
Čobeljić, Božidar
Pevec, Andrej
Stepanović, Stepan
Milenković, Milica R.
Turel, Iztok
Gruden, Maja
Radanović, Dušanka
Anđelković, Katarina
Article (Published version)
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Abstract
The isothiocyanato Zn(II) complex (1) and mixed isothiocyanato/thiocyanato Cd(II) complex (2) with the condensation product of 2-acetylpyridine and trimethylammoniumacetohydrazide chloride (Girard's T reagent) (HLCl) were investigated both experimentally and theoretically. The crystal structures of both complexes showed tridentate N2O coordination of hydrazine ligand. In complex 1 square-pyramidal coordination surrounding of Zn(II) consists of deprotonated hydrazone ligand and two isothiocyanato ligands, while in octahedral Cd(II) complex ligand is coordinated without deprotonation as a positively charged species and coordination geometry is completed with two N-coordinated and one S-coordinated NCS- anions. NMR spectroscopy and molar conductivity results for Cd(II) and Zn(II) complexes indicated their instability in solution. DFT calculations were performed to explain coordination preference and stability of complexes 1 and 2 in solid state and in solution. The obtained Cd(II) complex... is the first reported mononuclear pseudohalide/halide Cd(II) complex with quinoline-/pyridine-based hydrazone ligands possessing octahedral geometry in solid state. In this complex, H-bonding has significant impact on coordination number and supramolecular assembly in solid state.

Keywords:
Hydrazone ligand / Zn(II) and Cd(II) complexes / X-ray / DFT calculations
Source:
Structural Chemistry, 2018, 29, 6, 1797-1806
Publisher:
  • Springer/Plenum Publishers, New York
Funding / projects:
  • Interactions of natural products, their derivatives and coordination compounds with proteins and nucleic acids (RS-172055)
  • Slovenian Research Agency (P-0175)

DOI: 10.1007/s11224-018-1155-8

ISSN: 1040-0400

WoS: 000451767200020

Scopus: 2-s2.0-85050543071
[ Google Scholar ]
9
6
URI
https://cer.ihtm.bg.ac.rs/handle/123456789/2332
Collections
  • Radovi istraživača / Researchers' publications
Institution/Community
IHTM
TY  - JOUR
AU  - Čobeljić, Božidar
AU  - Pevec, Andrej
AU  - Stepanović, Stepan
AU  - Milenković, Milica R.
AU  - Turel, Iztok
AU  - Gruden, Maja
AU  - Radanović, Dušanka
AU  - Anđelković, Katarina
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2332
AB  - The isothiocyanato Zn(II) complex (1) and mixed isothiocyanato/thiocyanato Cd(II) complex (2) with the condensation product of 2-acetylpyridine and trimethylammoniumacetohydrazide chloride (Girard's T reagent) (HLCl) were investigated both experimentally and theoretically. The crystal structures of both complexes showed tridentate N2O coordination of hydrazine ligand. In complex 1 square-pyramidal coordination surrounding of Zn(II) consists of deprotonated hydrazone ligand and two isothiocyanato ligands, while in octahedral Cd(II) complex ligand is coordinated without deprotonation as a positively charged species and coordination geometry is completed with two N-coordinated and one S-coordinated NCS- anions. NMR spectroscopy and molar conductivity results for Cd(II) and Zn(II) complexes indicated their instability in solution. DFT calculations were performed to explain coordination preference and stability of complexes 1 and 2 in solid state and in solution. The obtained Cd(II) complex is the first reported mononuclear pseudohalide/halide Cd(II) complex with quinoline-/pyridine-based hydrazone ligands possessing octahedral geometry in solid state. In this complex, H-bonding has significant impact on coordination number and supramolecular assembly in solid state.
PB  - Springer/Plenum Publishers, New York
T2  - Structural Chemistry
T1  - Structural diversity of isothiocyanato Cd(II) and Zn(II) Girard's T hydrazone complexes in solution and solid state: effect of H-bonding on coordination number and supramolecular assembly of Cd(II) complex in solid state
VL  - 29
IS  - 6
SP  - 1797
EP  - 1806
DO  - 10.1007/s11224-018-1155-8
ER  - 
@article{
author = "Čobeljić, Božidar and Pevec, Andrej and Stepanović, Stepan and Milenković, Milica R. and Turel, Iztok and Gruden, Maja and Radanović, Dušanka and Anđelković, Katarina",
year = "2018",
abstract = "The isothiocyanato Zn(II) complex (1) and mixed isothiocyanato/thiocyanato Cd(II) complex (2) with the condensation product of 2-acetylpyridine and trimethylammoniumacetohydrazide chloride (Girard's T reagent) (HLCl) were investigated both experimentally and theoretically. The crystal structures of both complexes showed tridentate N2O coordination of hydrazine ligand. In complex 1 square-pyramidal coordination surrounding of Zn(II) consists of deprotonated hydrazone ligand and two isothiocyanato ligands, while in octahedral Cd(II) complex ligand is coordinated without deprotonation as a positively charged species and coordination geometry is completed with two N-coordinated and one S-coordinated NCS- anions. NMR spectroscopy and molar conductivity results for Cd(II) and Zn(II) complexes indicated their instability in solution. DFT calculations were performed to explain coordination preference and stability of complexes 1 and 2 in solid state and in solution. The obtained Cd(II) complex is the first reported mononuclear pseudohalide/halide Cd(II) complex with quinoline-/pyridine-based hydrazone ligands possessing octahedral geometry in solid state. In this complex, H-bonding has significant impact on coordination number and supramolecular assembly in solid state.",
publisher = "Springer/Plenum Publishers, New York",
journal = "Structural Chemistry",
title = "Structural diversity of isothiocyanato Cd(II) and Zn(II) Girard's T hydrazone complexes in solution and solid state: effect of H-bonding on coordination number and supramolecular assembly of Cd(II) complex in solid state",
volume = "29",
number = "6",
pages = "1797-1806",
doi = "10.1007/s11224-018-1155-8"
}
Čobeljić, B., Pevec, A., Stepanović, S., Milenković, M. R., Turel, I., Gruden, M., Radanović, D.,& Anđelković, K.. (2018). Structural diversity of isothiocyanato Cd(II) and Zn(II) Girard's T hydrazone complexes in solution and solid state: effect of H-bonding on coordination number and supramolecular assembly of Cd(II) complex in solid state. in Structural Chemistry
Springer/Plenum Publishers, New York., 29(6), 1797-1806.
https://doi.org/10.1007/s11224-018-1155-8
Čobeljić B, Pevec A, Stepanović S, Milenković MR, Turel I, Gruden M, Radanović D, Anđelković K. Structural diversity of isothiocyanato Cd(II) and Zn(II) Girard's T hydrazone complexes in solution and solid state: effect of H-bonding on coordination number and supramolecular assembly of Cd(II) complex in solid state. in Structural Chemistry. 2018;29(6):1797-1806.
doi:10.1007/s11224-018-1155-8 .
Čobeljić, Božidar, Pevec, Andrej, Stepanović, Stepan, Milenković, Milica R., Turel, Iztok, Gruden, Maja, Radanović, Dušanka, Anđelković, Katarina, "Structural diversity of isothiocyanato Cd(II) and Zn(II) Girard's T hydrazone complexes in solution and solid state: effect of H-bonding on coordination number and supramolecular assembly of Cd(II) complex in solid state" in Structural Chemistry, 29, no. 6 (2018):1797-1806,
https://doi.org/10.1007/s11224-018-1155-8 . .

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