Role of electronic curve crossing of benzene S 1 state in the photodissociation of aryl halides, effect of fluorination: RASSI-SO MS-CASPT2 study (original) (raw)

International Journal of Quantum Chemistry, 2009

Abstract

Previous studies on photo dissociation of iodobenzene by Bersohn 1, El-Sayed 2–4, Smalley 5 and Leone 6 revealed two distinct mechanisms: a direct dissociation caused by an excitation to the anti bonding n−σ* state, and a pre dissociative mechanism, where the initial ...

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