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

Yıl 2013, Cilt: 2 Sayı: 2, 54 - 59, 01.02.2013

Koray Sayin Duran Karakas

Öz

– 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

Anahtar Kelimeler

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Kaynakça

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