Benzene and Its Ionized States
- 1 November 1967
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 47 (9) , 3491-3495
- https://doi.org/10.1063/1.1712415
Abstract
Benzene ground and two pi ionized states, 2A2u and 2E1g, have been studied by the self-consistent-field method using contracted Gaussians as basis. Ionization potentials are assigned. A transfer of sigma charge density from hydrogen to carbon has been found to result from electron removal from the pi system.Keywords
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