The electronic structure of benzvalene : Photoelectronspectroscopic studies |
| |
| Authors: | Peter Bischof Rolf Gleiter Ekkehard Müller |
| |
| Institution: | Institut für Organische Chemie der Technischen Hochschule D-61 Darmstadt, West Germany;Organisch Chemisches Institut der Universität D-75 Karlsruhe, West Germany |
| |
| Abstract: | The photoelectron(PE)spectrum of tricyclo3.1.0.02,6] hex-2-ene(benzvalene 1) has been recorded. The first four bands in the PE spectrum of 1 can be assigned to transitions to 2B2, 2A1, 2A2 and 2B1 states of 11. This assignment is discussed in terms of the results of semiempirical and ab initio calculations on 1. Furthermore the highest occupied MO's of 1 are derived qualitatively from an interaction diagram between a distorted bicyclobutane and an ethylene moiety. |
| |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ |
