[Co(pema)(amp)Cl]2^+体系—面式异构体的结构解析及其优势构型 |
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引用本文: | 祝黔江,陶朱,张建新,张广义,罗绪强$D周忠远$D周向葛. [Co(pema)(amp)Cl]2^+体系—面式异构体的结构解析及其优势构型[J]. 化学学报, 2003, 61(5): 729-735 |
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作者姓名: | 祝黔江 陶朱 张建新 张广义 罗绪强$D周忠远$D周向葛 |
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作者单位: | [1]贵州大学基础部贵阳550025 [2]贵州大学应用化学研究所贵阳550025 [3]贵州省天然产物重点化学实验室贵阳550025 [4]中国科学院成都有机化学研究所成都610041 |
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基金项目: | 贵州省省长基金及贵州省教育厅基金(No.20013004)资助项目. |
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摘 要: | 仅合成得到[Co(pema)(amp)Cl]2^+体系配合物的一个面式异构体(pema=N-(2- 吡啶甲基)乙二胺,amp=2—甲氨基吡啶).利用二维核磁共振技术与单晶X—ray衍 射法平行解析了该异构体的结构.结果显示结构中存在C—H…π相互作用.用 RHF/LANL2DZ对该体系可能的异构体进行结构、能量优化,可能形成C—H…π相互 作用的异构体具有较好的稳定性.C—H…π相互作用对含吡啶环的[CoN5Cl]^2+系 配合物的异构体的选择性形成及其稳定性具有重要作用.
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关 键 词: | 钴络合物 异构体 吡啶 P 核磁共振谱法 X射线衍射分析 乙二胺 P 稳定性 |
修稿时间: | 2002-05-17 |
Assignment and Configuration Preference of a Fac-isomer in the [Co (pema)(amp)Cl]~(2+) System |
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Affiliation: | Department of Basic Courses, Guizhou University;Institute of Applied Chemistry, Guizhou University;Key Laboratory of Chemistry for Natural Products of Guizhou Province$DChengdu Institute of Organic Chemistry, Chinese Academy of Sciences |
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Abstract: | Only one fac isomer was synthesized in the [Co(pema) (amp) Cl]2+ system (pema= yV-pyridin-2-ylmethyl-ethane-1,2-diamine, amp = 2- aminomethylpyridine). This isomer was assigned by using 2D NMR technique and single crystal X-ray diffraction analysis. The results show that C-H…π interaction exists in the title isomer. A computational result of RHF/LANL2DZ optimized structure and total energy shows that the isomers with C H…π structure have lower total energy, and that stability and isomeric preference of isomer are related to the C H…π interaction in the isomer. |
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Keywords: | COBALT COMPLEX ISOMER PYRIDINE P NMR XRD ETHANEDIAMINE P STABILITY |
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