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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 .
Only one of the isomers (pema = N (2-picolyl) ethylenediamine and amp = 2 methylaminopyridine) of the complex of Co (pema) The structure of this isomer was resolved in parallel by single-crystal X-ray diffraction and single-crystal X-ray diffraction and the results showed that there was C-H ... π interaction in the structure. The possible isomers of this system were optimized by RHF / LANL2DZ , Which may form C-H ... π interaction has good stability of the isomer ... C-H ... π interaction of pyridine ring-containing [CoN5Cl] 2 + complex formation of isomers and Its stability plays an important role.