Journals / Journal of New Results in Science / 2013 / Cilt: 2 - Sayı: 2
Quantum Chemical Studies on [Co(ntb)(pic)]+ Complex Ion
- Pages
- 54–59
- DOI
- —
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