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

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Turkish Computational and Theoretical Chemistry
Volume:7 Issue:3
Influence of electronic structure of (R)-4-menten-3-one on its restricted rotation and inversion

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

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

Pages : 1-9

Doi:10.33435/tcandtc.1168638

View : 104 | Download : 110

Publication Date : 2023-09-03

Article Type : Research Paper

Abstract :In this work we was study correlation between electronic structure of insert ignore into journalissuearticles values(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 insert ignore into journalissuearticles values(R);-4-menthen-3-one, which explained difficults of inversion and rotation.
Keywords : Terpenoids, configuration determination, NBO, B3LYP 6 311 G 2d, p, MP2 6 311 G d, p,

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