Abstract

The detailed mechanism of thermal ring opening reactions of 2 H -pyran and 2 Н -1,4-oxazine systems in a broad range of spiropyran and spiro-1,4-oxazine derivatives was studied by density functional method calculations (PBE0/6-311+G(d,p)). The study revealed mechanistic features and the dependence of activation parameters of this electrocyclic reaction on the steric and electronic properties of spirofused rings in the studied compounds. Authors: Igor V. Dorogan*, Vladimir I. Minkin

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