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
Само за регистроване кориснике
2018
Аутори
Čobeljić, BožidarPevec, Andrej
Stepanović, Stepan
Milenković, Milica R.
Turel, Iztok
Gruden, Maja
Radanović, Dušanka
Anđelković, Katarina
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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.
Кључне речи:
Hydrazone ligand / Zn(II) and Cd(II) complexes / X-ray / DFT calculationsИзвор:
Structural Chemistry, 2018, 29, 6, 1797-1806Издавач:
- Springer/Plenum Publishers, New York
Финансирање / пројекти:
- Интеракције природних производа, њихових деривата и комплексних једињења са протеинима и нуклеинским киселинама (RS-172055)
- Slovenian Research Agency (P-0175)
DOI: 10.1007/s11224-018-1155-8
ISSN: 1040-0400
WoS: 000451767200020
Scopus: 2-s2.0-85050543071
Институција/група
IHTMTY - 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 . .