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Quantum Chemical Studies on [Co(ntb)(pic)]^+ Complex Ion
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نویسنده
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SAYIN Koray ,KARAKAŞ Duran
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منبع
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journal of new results in science - 2013 - شماره : 2 - صفحه:54 -59
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چکیده
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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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کلیدواژه
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Gaussian 09 ,DFT method ,Tris(2-benzimidazolylmethyl)amine picolinatocobalt (II)
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آدرس
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Cumhuriyet University, Faculty of Science, Department of Chemistry, Turkey, Cumhuriyet University, Faculty of Science, Department of Chemistry, Turkey
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Authors
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