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
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
