定性及定量共振论  

Qualitative and Quantitative Resonance Theory

作　　者：张爱清[1] 沈长虹[1] 

机构地区：[1]中南民族大学化学与生命科学学院,武汉430074

出　　处：《中南民族大学学报（自然科学版）》2004年第2期22-25,共4页Journal of South-Central University for Nationalities：Natural Science Edition

摘　　要：简要地说明了共振论的基本规律并举例说明其应用 ;由 1 3C- NMR的化学位移值计算了苯衍生物各正则结构的权值 ,从而使原为定性理论的共振论上升为定量理论 ;用定量的共振论处理了分子的一些物理性质 ,如振动光谱与键长 ;严格区分了交叉共轭与穿透共轭 2种情况 ,指出了“大 π键”The rules of resonance theory are given together with a few examples of its application; the originally qualitative resonance theory becomes quantitative by calculation of weights of canonical structures with chemical shift values of 13 C NMR.The quantitative resonance theory has been used to calculate some physical properties, such as vibration spectra, bond lengths and bond angles.Cross and through conjugation effects are critically differentiated, and the concept of 'large π bond' is point out to be vague.

关 键 词：共振论 权值 交叉共轭 穿透共轭 化学位移 

分 类 号：O621.13[理学—有机化学]