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Pedersoli, S.; Tormena, C.F.; dos Santos, F.P.; Contreras, R.H.; Rittner, R. "Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides" (2008) Journal of Molecular Structure. 891(1-3):508-513
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Abstract:

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.

Registro:

Documento: Artículo
Título:Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides
Autor:Pedersoli, S.; Tormena, C.F.; dos Santos, F.P.; Contreras, R.H.; Rittner, R.
Filiación:Physical Organic Chemistry Laboratory, Chemistry Institute, Campinas State University, C.P. 6154, 13084-971 Campinas, SP, Brazil
Department of Physics, FCEyN, University of Buenos Aires, Pabellón 1, (C1428EHA) Buenos Aires, Argentina
Palabras clave:α-Substituted acetamides; 1JCH and 2JCH coupling constants; Hyperconjugative interactions; Stereochemical behavior; Nuclear magnetic resonance; Sulfur compounds; 1JCH and 2JCH coupling constants; Carbonyl groups; Chloroacetamide; Coupling constants; Electrostatic effects; Hyperconjugative interactions; NMR couplings; Qualitative analyses; Stereochemical behavior; Flow interactions
Año:2008
Volumen:891
Número:1-3
Página de inicio:508
Página de fin:513
DOI: http://dx.doi.org/10.1016/j.molstruc.2008.04.040
Título revista:Journal of Molecular Structure
Título revista abreviado:J. Mol. Struct.
ISSN:00222860
CODEN:JMOSB
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00222860_v891_n1-3_p508_Pedersoli

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Citas:

---------- APA ----------
Pedersoli, S., Tormena, C.F., dos Santos, F.P., Contreras, R.H. & Rittner, R. (2008) . Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides. Journal of Molecular Structure, 891(1-3), 508-513.
http://dx.doi.org/10.1016/j.molstruc.2008.04.040
---------- CHICAGO ----------
Pedersoli, S., Tormena, C.F., dos Santos, F.P., Contreras, R.H., Rittner, R. "Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides" . Journal of Molecular Structure 891, no. 1-3 (2008) : 508-513.
http://dx.doi.org/10.1016/j.molstruc.2008.04.040
---------- MLA ----------
Pedersoli, S., Tormena, C.F., dos Santos, F.P., Contreras, R.H., Rittner, R. "Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides" . Journal of Molecular Structure, vol. 891, no. 1-3, 2008, pp. 508-513.
http://dx.doi.org/10.1016/j.molstruc.2008.04.040
---------- VANCOUVER ----------
Pedersoli, S., Tormena, C.F., dos Santos, F.P., Contreras, R.H., Rittner, R. Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides. J. Mol. Struct. 2008;891(1-3):508-513.
http://dx.doi.org/10.1016/j.molstruc.2008.04.040