The Study of Bond Selective Photochemistry in CH₂BrCl

Abstract:

The photodissociation of chlorobromomethane (CH2BrCl) has been studied using unrestricted Hartree-Fock (UHF), configuration-interaction-singles (CIS), and complete active space self-consistent field (CASSCF) levels. The result of oscillator strengths indicate that the photochemistry reactions of CH2BrCl are processes where the n(Br)→σ*(C-Br) transition are excited to repulsive states leading to direct carbon-bromine bond breaking reactions. And the 1A’ →1A’ state is the important transition in photolysis of chlorobromomethane.

• Periodical: Advanced Materials Research (Volume 699)
• Pages: 107-110
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.699.107
• Online since: May 2013
• Authors: Lan Li, Zong He Li
• Keywords: Bond Selectivity, Oscillator Strengths, Photodissociation

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