Theoretical study of Gibbs free energy and NMR chemical shifts, of the effect of methyl substituents on the isomers of (E)-1-(α,Ꞵ-Dimethylbenzyliden)-2,2-diphenylhydrazine

Theoretical study of Gibbs free energy and NMR chemical shifts, of the effect of methyl substituents on the isomers of (E)-1-(α,Ꞵ-Dimethylbenzyliden)-2,2-diphenylhydrazine

Abstract A theoretical analysis of free Gibbs Energy and NMR 1H 13C chemical shifts of the effect of introduce methyl groups on diphenyl rings, to produce different isomers of (E)-1-(α,Ꞵ-dimethylbenzylidene)-2,2-diphenylhydrazine, is presented. IR vibrational frequencies, Mulliken charges, molecular...

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Bibliographic Details
Main Authors: JUAN CARLOS RAMÍREZ-GARCÍA, RICARDO VÁZQUEZ-RAMÍREZ, MARÍA EUGENIA PATIÑO, CARLA AGUIRRE-CABRERA, VLADIMIR CARRANZA, CARMEN MÁRIA GONZÁLEZ ÁLVAREZ
Format: Article
Language:English
Published: Academia Brasileira de Ciências 2023-07-01
Series:Anais da Academia Brasileira de Ciências
Subjects:
Gibbs Energy
Enthalpy
NMR
DFT
Hydrazines
Theoretical calculations
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0001-37652023000200503&tlng=en

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