Structure électronique comparée des isomères conjugués du benzène |
| |
| Authors: | Lionel Praud Philippe Millie Dr Gaston Berthier |
| |
| Institution: | (1) Laboratoire de Chimie de l'École Normale Supérieure et Laboratoire de Chimie Quantique de la Faculté des Sciences de Paris, 13, rue Pierre et Marie Curie, Paris (5 ème), France |
| |
| Abstract: | The molecular orbitals and energy levels of and electrons in benzene, fulvene and 3,4-dimethylenecyclobutene have been calculated by the LCAO-SCF method, using a basis set of Gaussian orbitals. According to the values of binding energy, the larger stability of benzene is due to a electrons rather than to electrons. The main part of dipole moments arises from electrons. |
| |
| Keywords: | |
| 本文献已被 SpringerLink 等数据库收录！ |
|
