This article is cited in 45 papers

Are aroylnitrenes species with a singlet ground state?

N. P. Gritsan^a, E. A. Pritchina<sup>b

a</sup> V.V. Voevodsky Institute of Chemical Kinetics and Combustion, Siberian Branch of the Russian Academy of Sciences, Novosibirsk, Russian Federation
^b Department of Natural Sciences, Novosibirsk State University, Novosibirsk, Russian Federation

Abstract: The B3LYP calculations of the properties of singlet and triplet benzoylnitrenes and naphthoylnitrenes testify to the stabilization of the 1A’ state relative to the 3A” state due to the intermediacy of an NCO structure between nitrene and oxazirene in the 1A’ state.

Language: English

DOI: 10.1070/MC2001v011n03ABEH001376

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