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

Mostrar todas las versiones(2)

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...

Descripción completa

Guardado en:

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

Ejemplares similares

Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides
por: Contreras, Rubén Horacio
Publicado: (2008)

NMR spin-spin couplings involving nuclei in the neighborhood of a carbonyl group. 3JCH couplings in α-substituted acetamides
por: Pedersoli, S., et al.

NMR spin-spin couplings involving nuclei in the neighborhood of a carbonyl group. 3JCH couplings in α-substituted acetamides
por: Contreras, Rubén Horacio
Publicado: (2008)

Critical analysis of the through-space transmission of NMR J FH spin-spin coupling constants
por: Contreras, R.H., et al.

Critical analysis of the through-space transmission of NMR J FH spin-spin coupling constants
por: Contreras, Rubén Horacio
Publicado: (2012)

Contribución del co-transportador Na<SUP>+</SUP>- HCO<SUB>3</SUB><SUP>-</SUP> y de la anhidrasa carbónica a las alteraciones por isquemia y reperfusión: rol de la mitocondria
por: Ciocci Pardo, Alejandro
Publicado: (2019)

NMR spin-spin coupling constants and hyperconjugative interactions
por: Contreras, Rubén Horacio
Publicado: (2010)

NMR spin-spin coupling constants and hyperconjugative interactions
por: Contreras, R.H., et al.

Transmission mechanisms of NMR long-range J(13C,19F) scalar couplings in 1-F,4-X-cubanes: A DFT and experimental study
por: Contreras, Rubén Horacio
Publicado: (2006)

Transmission mechanisms of NMR long-range J(13C,19F) scalar couplings in 1-F,4-X-cubanes: A DFT and experimental study
por: Contreras, R.H., et al.

Experimental and theoretical investigation of NMR2JHH coupling constant on six-membered ring systems containing oxygen or sulfur atoms
por: Tormena, C.F., et al.

Experimental and theoretical investigation of NMR2JHH coupling constant on six-membered ring systems containing oxygen or sulfur atoms
Publicado: (2007)

Amorphous calcium organophosphates nanoshells as potential carriers for drug delivery to Ca<sup>+2</sup>-enriched surfaces
por: Perez Enriquez, Darlin J.

Stereochemical dependence of 3J CH coupling constants in 2-substituted 4-t-butyl-cyclohexanone and their alcohol derivatives
por: Favaro, D.C., et al.

Investigaciones radiofarmacológicas de un nuevo agente para la centellografía renal
por: Verdera, E. Silvia, et al.
Publicado: (1994)

Stereochemical dependence of 3J CH coupling constants in 2-substituted 4-t-butyl-cyclohexanone and their alcohol derivatives
por: Contreras, Rubén Horacio
Publicado: (2011)

Experimental, SOPPA(CCSD), and DFT analysis of substitutent effects on NMR 1 JCF coupling constants in fluorobenzene derivatives
por: Vilcachagua, J.D., et al.

Analysis of the electronic origin of the1JCH spin-spin coupling trend in 1-X-cyclopropanes: Experimental and DFT study
por: Neto, Á.C., et al.

Medición de la producción bacteriana en un embalse patagónico : Variaciones espacio temporales y relaciones con la producción primaria
por: Di Siervi, Miguel Ángel, et al.
Publicado: (1995)

Experimental, SOPPA(CCSD), and DFT analysis of substitutent effects on NMR 1 JCF coupling constants in fluorobenzene derivatives
por: Contreras, Rubén Horacio
Publicado: (2011)

Analysis of the interactions in FCCF:(H2O) and FCCF:(H2O)2 complexes through the study of their indirect spin–spin coupling constants
Publicado: (2018)

Analysis of the interactions in FCCF:(H2O) and FCCF:(H2O)2 complexes through the study of their indirect spin–spin coupling constants
por: Caputo, M.C., et al.

Interacción del catión VO<sup>2+</sup> con suprofen
por: Williams, Patricia Ana María, et al.
Publicado: (1998)

Analysis of the electronic origin of the1JCH spin-spin coupling trend in 1-X-cyclopropanes: Experimental and DFT study
por: Contreras, Rubén Horacio
Publicado: (2008)

Outliers en distribuciones de valores de δ<sup>13</sup>C : Una interpretación basada en el uso de simulaciones
por: Barrientos, Gustavo, et al.
Publicado: (2007)

Outliers en distribuciones de valores de δ<sup>13</sup>C : Una interpretación basada en el uso de simulaciones
por: Barrientos, Gustavo, et al.
Publicado: (2007)

Suplemento dietarios: Un abordaje multidisciplinario
por: Barrientos, V., et al.
Publicado: (2025)

Computational NMR coupling constants: Shifting and scaling factors for evaluating 1JCH
Publicado: (2013)

Computational NMR coupling constants: Shifting and scaling factors for evaluating 1JCH
por: San Fabián, J., et al.

Efecto de prostaglandinas, óxido nítrico y endotelina-1 sobre el metabolismo y desarrollo del embrión en oncogénesis durante la gesta diabética
por: Sinner, Débora Inés
Publicado: (2003)

Efecto de prostaglandinas, óxido nítrico y endotelina-1 sobre el metabolismo y desarrollo del embrión en oncogénesis durante la gesta diabética
por: Sinner, Débora Inés
Publicado: (2003)

Efecto de prostaglandinas, óxido nítrico y endotelina-1 sobre el metabolismo y desarrollo del embrión en oncogénesis durante la gesta diabética
por: Sinner, Débora Inés
Publicado: (2003)

Estudio cinético de la reacción CF<SUB>2</SUB> + CF<SUB>2</SUB> + He → C<SUB>2</SUB>F<SUB>4</SUB> + He A 296 K
por: Caballero, N. B, et al.
Publicado: (2010)

NMR J(13C,13C) spin-spin coupling constants in pyridine-carboxaldehydes. Experimental and DFT-B3LYP studies
por: Contreras, Rubén Horacio
Publicado: (2005)

NMR J(13C,13C) spin-spin coupling constants in pyridine-carboxaldehydes. Experimental and DFT-B3LYP studies
por: Taurian, O.E., et al.

The use of partially restricted molecular orbitals to investigate transmission mechanisms of spin-spin coupling constants. I. The σ and π contributions within the FPT INDO method
por: Engelmann, Alejandro R., et al.
Publicado: (1981)

The use of partially restricted molecular orbitals to investigate transmission mechanisms of spin-spin coupling constants. I. The σ and π contributions within the FPT INDO method
por: Engelmann, A.R., et al.

A theoretical study of the thermal stability of the FS(O<SUB>2</SUB>)OSO<SUB>2</SUB> radical and the recombination kinetics with the FSO<SUB>3</SUB> radical
por: Badenes, María Paula, et al.
Publicado: (2018)

Medición de la producción bacteriana en un embalse patagónico : Aspectos metodológicos
por: Di Siervi, Miguel Ángel, et al.
Publicado: (1995)

Experimental and theoretical study of hyperconjugative interaction effects on NMR1JCH scalar couplings
por: Contreras, R.H., et al.