An MO-theoretical study of the electronic structures of formyloxyl and acetoxyl radicals.

スポンサーリンク

概要

• 論文の詳細を見る

• A semi-empirical NDDO MO method was applied to formyloxyl(HCOO) and acetoxyl(CH<SUB>3</SUB>COO) radicals in order to determine whether the ground-state electronic structure of the acyloxyl radical is of σ- or π-type. A σ-type state was found to be more stable than a π-type state over the entire range of values of the OCO angles of these radicals. This appears to be in agreement with the experimental facts which have been derived from the ESR spectra of several acyloxyl radicals.

• 公益社団法人 日本化学会の論文

著者

• Utsumi Kayoko

  Institute of Chemistry, The University of Tsukuba

• Kikuchi Osamu

  Institute of Chemistry, The University of Tsukuba

• Suzuki Keizo

  Institute of Chemistry, The University of Tsukuba

関連論文

• An MO-theoretical study of the electronic structures of formyloxyl and acetoxyl radicals.
• A semi-empirical MO study of radical-induced decomposition of dibenzoyl peroxide. The charge-transfer character and reaction mechanism.

スポンサーリンク