This article is cited in 4 papers

Communications

Specificity of internal rotation in aldehydes with three-membered rings

V. A. Bataev, S. S. Styopin

Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russian Federation

Abstract: The results of anharmonic calculations of low-frequency vibrations of aldehyde molecules containing a three-membered cycle with a π-bond are presented. The theoretical exploration of the conformational behavior and geometrical structure of two related molecules is carried out and potential energy surface sections along the coordinates of internal rotation and non-planar vibration close in frequency are constructed and analyzed. The possibility of kinematic coupling of these two vibrations and the complexity of their forms are especially considered.

Keywords: three-membered rings, aldehydes, internal rotation, anharmonic vibrations, kinematic interaction.

Language: English

DOI: 10.1016/j.mencom.2023.04.037

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