Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides

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A rationalization of the stereochemical behavior of 1JCH and 2JCH coupling constants, involving nuclei in the vicinity of a carbonyl group were carried out in fluoroacetamide (1), chloroacetamide (2), bromoacetamide (3) and cyanoacetamide (4). 1JCH and 2JCH experimental and theoretically calculated...

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Detalles Bibliográficos
Autores principales: Pedersoli, S., Tormena, C.F., dos Santos, F.P., Contreras, R.H., Rittner, R.
Formato: JOUR
Materias:
α-Substituted acetamides
1JCH and 2JCH coupling constants
Hyperconjugative interactions
Stereochemical behavior
Nuclear magnetic resonance
Sulfur compounds
<sup>1</sup>J<sub>CH</sub> and <sup>2</sup>J<sub>CH</sub> coupling constants
Carbonyl groups
Chloroacetamide
Coupling constants
Electrostatic effects
NMR couplings
Qualitative analyses
Flow interactions
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00222860_v891_n1-3_p508_Pedersoli
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
Descripción
Sumario:A rationalization of the stereochemical behavior of 1JCH and 2JCH coupling constants, involving nuclei in the vicinity of a carbonyl group were carried out in fluoroacetamide (1), chloroacetamide (2), bromoacetamide (3) and cyanoacetamide (4). 1JCH and 2JCH experimental and theoretically calculated coupling constant together with a qualitative analyses of hyperconjugative interactions through NBO data, showed that observed behavior is mainly due to the hyperconjugative interactions and electrostatic effects. © 2008 Elsevier B.V. All rights reserved.

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