PhytoChem & BioSub Journal
Volume 7, Numéro 1, Pages 19-27
2013-04-16

Atropisomerism At C ̶ N Bonds: Structural Conformations And Vibrational Spectral Study Of Iminothiazoline Derivatives With Density Functional Theoretical Optimizations



Authors : Mimouni F.z. . Rahmouni A. . Djeradi H. . Belboukhari N. . Cheriti A. .

Abstract

The isolation of the pair atropisomers of the both iminothiazoline derivatives and the spectroscopic analytical of the compound have been computed using B3LYP/6-31G(d,p) level to derive the equilibrium geometry, conformational stability, molecular orbital energies and vibrational frequencies was studied in this paper.

Keywords

Atropisomer, Iminothiazoline, energy barrier, DFT

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