烯氢和烯碳化学位移的本质  

The Nature of NMR Chemical Shifts of Proton and Carbon in Alkenes

作　　者：李临生[1] 

机构地区：[1]温州大学浙江省皮革重点实验室

出　　处：《波谱学杂志》2007年第2期169-174,共6页Chinese Journal of Magnetic Resonance

基　　金：陕西省自然科学基金资助项目(2003B17)

摘　　要：对乙烯、共轭二烯、叠烯、羰基、烯胺、亚胺双键中的sp2杂化碳、氧、氮原子以及双键相连的质子或碳原子化学位移实验数据的分析表明,目前化学位移理论中所采用的π-键在磁场中产生环流的假说与实验结果有严重矛盾.核周电子云变形模型可较好地解决这些矛盾.The ring current model is often used to interpret the chemical shifts of alkene containing proton and carbon nuclei. However, theoretical interpretation using these models leads to notable inconsistencies with the experimental data. In this paper, the pitfalls of using the p-electron circulation model are discussed. It is also shown that the model of deformation and variation of density of electron clouds around nuclei is a better model for interpreting the chemical shifts of alkene.

关 键 词：NMR 化学位移 电子运动 环流模型 双键 核周电子云变形模型 

分 类 号：O482.53[理学—固体物理]