Issue 3, 2001

Are aroylnitrenes species with a singlet ground state?

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.

Article information

Article type
Paper

Mendeleev Commun., 2001,11, 94-96

Are aroylnitrenes species with a singlet ground state?

N. P. Gritsan and E. A. Pritchina, Mendeleev Commun., 2001, 11, 94 DOI: 10.1070/MC2001v011n03ABEH001376

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