Análisis Cloppa en 1-naftaldehído

Mostrar todas las versiones(2)

Se analizan las contribuciones de anisotropía magnética y campo eléctrico a la constante de apantallamiento del protón peri respecto del grupo aldehído en el 1-naftaldehído. Para ello se evalúan las contribuciones de determinados fragmentos moleculares a dicha constante empleando la técnica IPPP que...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Herr, T., Ferraro, M. B., Contreras, Rubén Horacio
Lenguaje:	Español
Publicado:	1989
Acceso en línea:	https://hdl.handle.net/20.500.12110/afa_v01_n01_p117
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

Ejemplares similares

Análisis Cloppa en 1-naftaldehído
por: Herr, Tomás Erico, et al.
Publicado: (1989)

Ab initio ‘CLOPPA’ decomposition of the static molecular polarizability tensor
por: Giribet, Claudia Gloria, et al.
Publicado: (1997)

Ab initio ‘CLOPPA’ decomposition of the static molecular polarizability tensor
por: Giribet, C.G., et al.

2J(SeSe) couplings in diseleno-substituted alkenylic compounds. A CLOPPA-IPPP analysis
por: Cavasotto, Claudio Norberto, et al.
Publicado: (1990)

Ab initio ‘CLOPPA’ decomposition of the static molecular polarizability tensor
por: Giribet, C.G
Publicado: (1997)

Exo‐exo and endo‐endo vicinal proton spin‐spin coupling constants in norbornane and norbornene. An IPPP‐CLOPPA analysis
por: Cavasotto, Claudio Norberto, et al.
Publicado: (1991)

Estudio del equilibrio tautomérico en la base de Schiff derivada de 2-hidroxi-1-naftaldehído y 1-naftilamina mediante métodos espectrométricos y computacionales
por: López, Elías
Publicado: (2023)

CLOPPA analysis of the molecular polarizability and the energy of strong intramolecular hydrogen bonds: Resonance assisted?
por: Giribet, C.G., et al.

2J(SeSe) couplings in diseleno-substituted alkenylic compounds. A CLOPPA-IPPP analysis
por: Cavasotto, C.N., et al.

Evaluation of the molecular polarizability using the IPPP-CLOPPA-INDO/S method. Application to molecules of biological interest
por: Botek, E., et al.

CLOPPA analysis of the molecular polarizability and the energy of strong intramolecular hydrogen bonds: Resonance assisted?
por: Giribet, Claudia Gloria, et al.
Publicado: (2012)

Ab initio IPPP-CLOPPA approach to perform bond contribution analysis of NMR coupling constants: 1J(NH) in NH3 as a function of pyramidality
por: Ruiz De Azúa, M.C., et al.

Cloppa RPA-AM1 analysis of the anisotropy of NMR1J(XY) coupling tensors in Me3XY compounds (X = 13C, 29Si, 119Sn, 207Pb; Y = 19F, 35Cl)
por: Aucar, Gustavo A., et al.
Publicado: (1997)

Exo‐exo and endo‐endo vicinal proton spin‐spin coupling constants in norbornane and norbornene. An IPPP‐CLOPPA analysis
por: Cavasotto, C.N., et al.

Evaluation of the molecular polarizability using the IPPP-CLOPPA-INDO/S method. Application to molecules of biological interest
por: Botek, Edith Lilián, et al.
Publicado: (2008)

Susceptibilidad magnética de grupos funcionales
por: Herr, T., et al.
Publicado: (1990)

Análisis CLOPPA-RPA de propiedades de respuesta lineal usando funciones de onda ab initio y semiempíricas
por: Botek, Edith Lilián
Publicado: (1998)

Análisis CLOPPA-RPA de propiedades de respuesta lineal usando funciones de onda ab initio y semiempíricas
por: Botek, Edith Lilián
Publicado: (1998)

Análisis CLOPPA-RPA de propiedades de respuesta lineal usando funciones de onda ab initio y semiempíricas
por: Botek, Edith Lilián
Publicado: (1998)

The sign and magnitude of2hJ(F,F) and1hJ(F,H) in FH⋯FH. A CLOPPA analysis of their distance dependence
por: Giribet, C.G., et al.

2J(SeSe) couplings in diseleno-substituted alkenylic compounds. A CLOPPA-IPPP analysis
por: Cavasotto, C.N
Publicado: (1990)

Ab initio IPPP-CLOPPA approach to perform bond contribution analysis of NMR coupling constants: 1J(NH) in NH3 as a function of pyramidality
por: Ruiz De Azúa, M.C
Publicado: (1998)

CLOPPA - IPPP Analysis of cooperative effects in H-bonded molecular complexes. 2. Application to the static molecular polarizability tensor
por: Giribet, C.G., et al.

IPPP-CLOPPA Analysis of the Influence of the Methylation on the Potential Energy and the Molecular Polarizability of the Hydrogen Bonds in the Cytosine-Guanine Base Pair
por: Giribet, C.G., et al.

The sign and magnitude of2hJ(F,F) and1hJ(F,H) in FH⋯FH. A CLOPPA analysis of their distance dependence
por: Giribet, Claudia Gloria, et al.
Publicado: (2006)

Ab initio IPPP-CLOPPA approach to perform bond contribution analysis of NMR coupling constants: 1J(NH) in NH3 as a function of pyramidality
Publicado: (1998)

CLOPPA - IPPP Analysis of cooperative effects in H-bonded molecular complexes. 2. Application to the static molecular polarizability tensor
por: Giribet, Claudia Gloria
Publicado: (2010)

IPPP-CLOPPA Analysis of the Influence of the Methylation on the Potential Energy and the Molecular Polarizability of the Hydrogen Bonds in the Cytosine-Guanine Base Pair
por: Giribet, Claudia Gloria, et al.
Publicado: (2017)

Exo‐exo and endo‐endo vicinal proton spin‐spin coupling constants in norbornane and norbornene. An IPPP‐CLOPPA analysis
por: Cavasotto, C.N
Publicado: (1991)

Cloppa RPA-AM1 analysis of the anisotropy of NMR1J(XY) coupling tensors in Me3XY compounds (X = 13C, 29Si, 119Sn, 207Pb; Y = 19F, 35Cl)
por: González, J.A., et al.

Influence of σ-hyperconjugative interactions on 13C substituent chemical shifts: Experimental and theoretical study in 1-X,3-CH 3-bicyclo[1.1.1]pentanes
por: Contreras, Rubén Horacio
Publicado: (2004)

Influence of σ-hyperconjugative interactions on 13C substituent chemical shifts: Experimental and theoretical study in 1-X,3-CH 3-bicyclo[1.1.1]pentanes
por: Contreras, Rubén Horacio
Publicado: (2004)

Calculation of substituent electric fields
por: Herr, T., et al.

Theoretical comparison of proximate peri and ortho substituent effects on proton chemical shifts
por: Herr, T., et al.

CLOPPA-IPPP analysis of electronic mechanisms of intermolecular 1hJ(A,H) and2hJ(A,D) spin-spin coupling constants in systems with D-H⋯A hydrogen bonds
por: Giribet, C.G., et al.

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)

Susceptibilidad magnética de grupos funcionales
por: Herr, Tomás Erico, et al.
Publicado: (1990)

Theoretical comparison of proximate peri and ortho substituent effects on proton chemical shifts
por: Herr, Tomás E., et al.
Publicado: (1992)

Fluorine deshielding in the proximity of a methyl group. An experimental and theoretical study
por: Herr, Tomás E., et al.
Publicado: (1991)

CLOPPA-IPPP analysis of electronic mechanisms of intermolecular 1hJ(A,H) and2hJ(A,D) spin-spin coupling constants in systems with D-H⋯A hydrogen bonds
por: Giribet, Claudia Gloria, et al.
Publicado: (2005)