DFT/TD-DFT study on spectroscopic properties of zinc(II), nickel(II), and palladium(II) metal complexes with a thiourea derivative

DFT/TD-DFT study on spectroscopic properties of zinc(II), nickel(II), and palladium(II) metal complexes with a thiourea derivative

The geometries, electronic structures, and spectral properties of three metal complexes Zn(C10H12N3OS)2 (1), Ni(C10H12N3OS)2 (2), and Pd(C10H12N3OS)2 (3) with N-(2-pyridinyl)morpholine-4-carbothioamide as a ligand are investigated by means of DFT (density functional theory) and TD-DFT (time...

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Bibliographic Details
Main Authors: Wang Xin, Li Jieqiong, Wang Li, Wu Wenpeng, Du Zheng, Luo Wenlong
Format: Article
Language:English
Published: Serbian Chemical Society 2016-01-01
Series:Journal of the Serbian Chemical Society
Subjects:
TD-DFT theory
electronic spectra
electronic structures
thiourea
Online Access:http://www.doiserbia.nb.rs/img/doi/0352-5139/2016/0352-51391600071W.pdf

Internet

http://www.doiserbia.nb.rs/img/doi/0352-5139/2016/0352-51391600071W.pdf

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