Quantum Chemical Studies on [Co(ntb)(pic)]+ Complex Ion
– 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 p...
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| Format: | Article |
| Language: | English |
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Tokat Gaziosmanpasa University
2013-02-01
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| Series: | Journal of New Results in Science |
| Online Access: | https://dergipark.org.tr/en/download/article-file/105185 |
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| _version_ | 1849338978289844224 |
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| author | Duran Karakas Koray Sayin |
| author_facet | Duran Karakas Koray Sayin |
| author_sort | Duran Karakas |
| collection | DOAJ |
| description | – 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 |
| format | Article |
| id | doaj-art-5768ce57fa0d40dab211dfb83ebe6186 |
| institution | Kabale University |
| issn | 1304-7981 |
| language | English |
| publishDate | 2013-02-01 |
| publisher | Tokat Gaziosmanpasa University |
| record_format | Article |
| series | Journal of New Results in Science |
| spelling | doaj-art-5768ce57fa0d40dab211dfb83ebe61862025-08-20T03:44:14ZengTokat Gaziosmanpasa UniversityJournal of New Results in Science1304-79812013-02-01225459142Quantum Chemical Studies on [Co(ntb)(pic)]+ Complex IonDuran KarakasKoray Sayin– 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 investigatedhttps://dergipark.org.tr/en/download/article-file/105185 |
| spellingShingle | Duran Karakas Koray Sayin Quantum Chemical Studies on [Co(ntb)(pic)]+ Complex Ion Journal of New Results in Science |
| title | Quantum Chemical Studies on [Co(ntb)(pic)]+ Complex Ion |
| title_full | Quantum Chemical Studies on [Co(ntb)(pic)]+ Complex Ion |
| title_fullStr | Quantum Chemical Studies on [Co(ntb)(pic)]+ Complex Ion |
| title_full_unstemmed | Quantum Chemical Studies on [Co(ntb)(pic)]+ Complex Ion |
| title_short | Quantum Chemical Studies on [Co(ntb)(pic)]+ Complex Ion |
| title_sort | quantum chemical studies on co ntb pic complex ion |
| url | https://dergipark.org.tr/en/download/article-file/105185 |
| work_keys_str_mv | AT durankarakas quantumchemicalstudiesoncontbpiccomplexion AT koraysayin quantumchemicalstudiesoncontbpiccomplexion |