Matrix Isolation and Computational Studies of Benzoyl Chloride Photolysis
International Research Journal of Pure and Applied Chemistry · pp. 737–745 · Published 14 Jul 2014
10.9734/IRJPAC/2014/11796Abstract
The UV light photolysis (λ >260 nm) of benzoyl chloride was investigated using matrix isolation FT-IR spectroscopy and computational methods (MP2, B3LYP, CCSD, and SAC-CI). The photolysis products were found to bechlorobenzene and CO. An intermediate species was identified with 6-chloro-2, 4-cyclohexadien-1-ylidenemethanone (CCHM) from the MP2 calculations. Changes in the CCHM absorption bands showed a typical growth and decay profile for an intermediate species in a consecutive reaction. In addition, 6-chlorofulvene was found to be a minor product.
Cited by 2
Nobuaki Tanaka, Kohei Nakamura, Masatoshi Yutaka · Chemical Physics Letters · 2014
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