Determination of structural and electronic properties of [Ni(NQSC)2] and [Ni(NQTS)2] complexes with DFT method

Authors : Koray SAYİN, Duran KARAKAS

Pages : 47-53

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Publication Date : 2013-02-01

Article Type : Research Paper

Abstract :– Nickel insert ignore into journalissuearticles values(II); complexes of ortho-naphthaquinone semicarbazone and thiosemicarbazone were studied theoretically. [Niinsert ignore into journalissuearticles values(NQSC);2] insert ignore into journalissuearticles values(1); and [Niinsert ignore into journalissuearticles values(NQTS);2] insert ignore into journalissuearticles values(2); complexes were synthesized and geometric parameters, vibrational frequencies and UV-VIS spectrum of mentioned complexes were obtained by Afrasiabi et al. in 2005 [1]. In this study, geometric parameters, vibrational spectrum, Transition Character insert ignore into journalissuearticles values(TC); analysis and UV-VIS spectrum were calculated as theoretically
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