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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

Samo za registrovane korisnike
2018
Autori
Čobeljić, Božidar
Pevec, Andrej
Stepanović, Stepan
Milenković, Milica R.
Turel, Iztok
Gruden, Maja
Radanović, Dušanka
Anđelković, Katarina
Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentu
Apstrakt
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.

Ključne reči:
Hydrazone ligand / Zn(II) and Cd(II) complexes / X-ray / DFT calculations
Izvor:
Structural Chemistry, 2018, 29, 6, 1797-1806
Izdavač:
  • Springer/Plenum Publishers, New York
Finansiranje / projekti:
  • Interakcije prirodnih proizvoda, njihovih derivata i kompleksnih jedinjenja sa proteinima i nukleinskim kiselinama (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 ]
10
6
URI
https://cer.ihtm.bg.ac.rs/handle/123456789/2332
Kolekcije
  • Radovi istraživača / Researchers' publications
Institucija/grupa
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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