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
| Autor: | Dušanka Radanović, Milica R. Milenković, Iztok Turel, Stepan Stepanović, Maja Gruden, Katarina Anđelković, Božidar Čobeljić, Andrej Pevec |
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| Rok vydání: | 2018 |
| Předmět: |
chemistry.chemical_classification
010405 organic chemistry Ligand Coordination number Zn(II) and Cd(II) complexes Molar conductivity Hydrazone DFT calculations 010402 general chemistry Condensed Matter Physics 01 natural sciences 0104 chemical sciences Supramolecular assembly X-ray Crystallography chemistry.chemical_compound Hydrazone ligand chemistry Octahedral molecular geometry Pyridine Physical and Theoretical Chemistry Coordination geometry |
| Zdroj: | Structural Chemistry |
| ISSN: | 1572-9001 1040-0400 |
| Popis: | 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. © 2018, Springer Science+Business Media, LLC, part of Springer Nature. Supplementary material: [http://cherry.chem.bg.ac.rs/handle/123456789/3305] |
| Databáze: | OpenAIRE |
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