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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Autor principal: Contreras, Rubén Horacio
Publicado: 2008
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:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00222860_v891_n1-3_p508_Pedersoli
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
id paper:paper_00222860_v891_n1-3_p508_Pedersoli
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spelling paper:paper_00222860_v891_n1-3_p508_Pedersoli2023-06-08T14:48:58Z Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides Contreras, Rubén Horacio 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 Hyperconjugative interactions NMR couplings Qualitative analyses Stereochemical behavior Flow interactions 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. Fil:Contreras, R.H. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2008 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00222860_v891_n1-3_p508_Pedersoli http://hdl.handle.net/20.500.12110/paper_00222860_v891_n1-3_p508_Pedersoli
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic 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
Hyperconjugative interactions
NMR couplings
Qualitative analyses
Stereochemical behavior
Flow interactions
spellingShingle 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
Hyperconjugative interactions
NMR couplings
Qualitative analyses
Stereochemical behavior
Flow interactions
Contreras, Rubén Horacio
Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides
topic_facet 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
Hyperconjugative interactions
NMR couplings
Qualitative analyses
Stereochemical behavior
Flow interactions
description 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.
author Contreras, Rubén Horacio
author_facet Contreras, Rubén Horacio
author_sort Contreras, Rubén Horacio
title Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides
title_short Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides
title_full Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides
title_fullStr Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides
title_full_unstemmed Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides
title_sort stereochemical behavior of 1jch and 2jch nmr coupling constants in α-substituted acetamides
publishDate 2008
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00222860_v891_n1-3_p508_Pedersoli
http://hdl.handle.net/20.500.12110/paper_00222860_v891_n1-3_p508_Pedersoli
work_keys_str_mv AT contrerasrubenhoracio stereochemicalbehaviorof1jchand2jchnmrcouplingconstantsinasubstitutedacetamides
_version_ 1768546525904896000

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