APPLICATIONS OF NMR AND THEORETICAL CALCULATIONS TO STUDY THE O-H∙∙∙N INTRAMOLECULAR HYDROGEN BOND EFFECT ON THE CONFORMATIONAL EQUILIBRIUM OF CIS-3-N-ETHYLAMINOCYCLOHEXANOL AND CIS-3-N,N-DIETHYLAMINOCYCLOHEXANOL

APPLICATIONS OF NMR AND THEORETICAL CALCULATIONS TO STUDY THE O-H∙∙∙N INTRAMOLECULAR HYDROGEN BOND EFFECT ON THE CONFORMATIONAL EQUILIBRIUM OF CIS-3-N-ETHYLAMINOCYCLOHEXANOL AND CIS-3-N,N-DIETHYLAMINOCYCLOHEXANOL

Textbooks show that in cis-1,3-disubstituted cyclohexane molecule, the conformer with the substituents in the diaxial positions is higher in energy and hence, it presents a low population in the conformational equilibrium. The diaxial conformer is destabilized by the repulsion between the substituen...

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Bibliographic Details
Main Authors: Paulo R. de Oliveira, Roberto Rittner, Palimecio G. Guerrero Jr., Patrick R. Batista, Gustavo J. Costa
Format: Article
Language:English
Published: Sociedade Brasileira de Química 2023-10-01
Series:Química Nova
Subjects:
conformational analysis
intramolecular hydrogen bond
aminocyclohexanols
QTAIM
NCI
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422023000800771&lng=en&tlng=en

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