Title of article
Quantum Chemical Studies on [Co(ntb)(pic)]^+ Complex Ion
Author/Authors
SAYIN, Koray Cumhuriyet University - Faculty of Science - Department of Chemistry, Turkey , KARAKAŞ, Duran Cumhuriyet University - Faculty of Science - Department of Chemistry, Turkey
From page
54
To page
59
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.
Keywords
Gaussian 09 , DFT method , Tris(2 , benzimidazolylmethyl)amine picolinatocobalt (II)
Journal title
Journal Of New Results In Science
Journal title
Journal Of New Results In Science
Record number
2608625
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