平面和球面芳香性的势阱模型

Potential-Well Models of Planar and Spherical Aromaticities

文章提出平面和球面芳香性体系的平面圆环和球形势阱模型,导出芳香性和反芳香性体系的π电子数规则,并半定量解释了苯分子的电子跃迁光谱。

Planar cyclic and spherical potential-well models are proposed and employed to predict the electron counting rules for planar and spherical aromaticities and antiaromaticityies. The electron transition energy calculated in the planar cyclic model semi-qualitatively agrees with the absorption spectra of benzene.