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Dergiler / Turkish Computational and Theoretical Chemistry / 2023 / Cilt: 7 Sayı: 3

Influence of electronic structure of (R)-4-menten-3-one on its restricted rotation and inversion

Ivan VAKULİN, Elvira LATYPOVA, Rifkat FAATOVİCH, Gumer Yusupovich ISHMURATOV, Guzel Rafailovna TALIPOVA

Sayfa
1–9
DOI
—

Abstract

In this work we was study correlation between electronic structure of (R)-4-menthen-3-one and restricted transitions between its conformers. By NBO analysis, carried out in ab inition methods, we found special orbital interactions and sterical effects in conformers of (R)-4-menthen-3-one, which explained difficults of inversion and rotation.