Crystal structures, spectra properties and DFT calculations studies on 4-phenyl-1-(3-phenylallylidene)thiosemicarbazide and its Ni(II) complex.

Authors :: Song, Jie
Zhu, Fengxia
Wang, Hongyan
Zhao, Pusu
Source :: Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy. Aug2014, Vol. 129, p227-234. 8p.
Publication Year :: 2014
Abstract: Highlights: [•] The title ligand and its Ni(II) complex were synthesized and characterized. [•] Crystal structures of the two compounds were obtained. [•] DFT calculations of structure, NPA analysis and electronic spectra were performed. [•] Experimental structures and electronic spectra were compared with the predicted ones. [•] Thermodynamic properties of the two compounds were studies. [Copyright &y& Elsevier]

Subjects :: *CRYSTAL structure
*SPECTRUM analysis
*DENSITY functional theory
*NICKEL compounds
*COMPARATIVE studies
*THERMODYNAMICS

Language :: English
ISSN :: 13861425
Volume :: 129
Database :: Academic Search Index
Journal :: Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy
Publication Type :: Academic Journal
Accession number :: 96247220
Full Text :: https://doi.org/10.1016/j.saa.2014.03.083

Full Text Access

Tools