Artículo
NMR spin-spin coupling constants and hyperconjugative interactions
Contreras, Ruben Horacio
; Suardíaz, R.; Pérez, C.; Crespo-Otero, R.; San Fabián, J.; De La García Vega, J.M.
Fecha de publicación:
06/2010
Editorial:
John Wiley & Sons Inc
Revista:
International Journal of Quantum Chemistry
ISSN:
0020-7608
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
The potential of NMR spin-spin coupling constants as probes to study fine details of electronic molecular structures is briefly discussed in this work through two different examples. A qualitative analysis of the polarization propagator expression for the Fermi contact term is applied for predicting factors affecting 1JCH, and comments are made about how to generalize those results to different types of one-bond spin-spin couplings. Moreover, the Natural J Coupling method is applied to get insight into electronic factors defining a. Karplus relationship of type 3J HH (180°) < 3JHH(0°) known in the literature for some amino acids. © 2009 Wiley Periodicals, Inc.
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Articulos(IFIBA)
Articulos de INST.DE FISICA DE BUENOS AIRES
Articulos de INST.DE FISICA DE BUENOS AIRES
Citación
Contreras, Ruben Horacio; Suardíaz, R.; Pérez, C.; Crespo-Otero, R.; San Fabián, J.; et al.; NMR spin-spin coupling constants and hyperconjugative interactions; John Wiley & Sons Inc; International Journal of Quantum Chemistry; 110; 3; 6-2010; 532-539
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