Copper(II) and molybdenum(VI) complexes of a tridentate ONN donor isothiosemicarbazone: synthesis, characterization, X-ray, TGA and DFT

0465562 - FZÚ 2017 RIV GB eng J - Článek v odborném periodiku
Fasihizad, A. - Akbari, A. - Ahmadi, M. - Dušek, Michal - Henriques, Margarida Isabel Sousa - Pojarová, Michaela
Copper(II) and molybdenum(VI) complexes of a tridentate ONN donor isothiosemicarbazone: synthesis, characterization, X-ray, TGA and DFT.
Polyhedron. Roč. 115, Sep (2016), s. 297-305. ISSN 0277-5387. E-ISSN 1873-3719
Grant CEP: GA ČR(CZ) GA14-03276S; GA MŠMT LO1603
GRANT EU: European Commission(XE) CZ.2.16/3.1.00/24510
Institucionální podpora: RVO:68378271
Klíčová slova: isothiosemicarbazone * Copper(II) complex * molybdenum(VI) complex * crystal structure * DFT
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 1.926, rok: 2016

Stable Cu(II) and Mo(VI) complexes with the Schiff base ligand 3-methoxy-2-hydroxobenzaldehyde Sethyl-isothiosemicarbazone (H2L) were prepared in good yields. The complexes were fully characterized by analytical and spectroscopic techniques. Single-crystal X-ray crystallography reveals the copper and molybdenum complexes have distorted square planar and octahedral geometries respectively. H2L acts as a tridentate ONN donor ligand. The ligand is presented in mono-negative (amido) and di-negative (imino) forms in the Cu(II) and Mo(VI) complexes respectively. The thermogravimetric analysis of the complexes shows CuO and MoO3 as residues. The computed parameters from DFT calculations for structure optimizations and vibrational frequencies are in good agreement with the experimental data. The NBO calculations show the majority of the electron density of the donor atoms tends to be on the central atoms.
Trvalý link: http://hdl.handle.net/11104/0264079