Quantum Chemical Studies on [Co(ntb)(pic)]+ Complex Ion

Authors : Koray Sayin, Duran Karakas

Pages : 54-59

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Publication Date : 2013-02-01

Article Type : Other

Abstract :– Tris(2-benzimidazolylmethyl)aminepicolinatocobalt (II), [Co(ntb)(pic)]+, complex were studied theoretically. [Co(ntb)(pic)]+complex ion were synthesized and geometric parameters, vibration frequencies and UV-VIS spectrum were obtained by Nie et al. in 2010 [1]. In this study, optimized geometric parameters, vibrational spectrum, Molecular Orbital (MO) character analysis, Transition Character (TC) analysis and UV-VIS spectrum were calculated. The correlations between theoretical and experimental results were investigated
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