Matrix Isolation and Computational Studies of Benzoyl Chloride Photolysis

Tanaka, Nobuaki (2014) Matrix Isolation and Computational Studies of Benzoyl Chloride Photolysis. International Research Journal of Pure and Applied Chemistry, 4 (6). pp. 737-745. ISSN 22313443

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Official URL: https://doi.org/10.9734/IRJPAC/2014/11796

Abstract

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.

Item Type:	Article
Subjects:	STM Academic > Chemical Science
Depositing User:	Unnamed user with email support@stmacademic.com
Date Deposited:	03 Jul 2023 04:58
Last Modified:	11 Jan 2024 04:50
URI:	http://article.researchpromo.com/id/eprint/1074

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