NMR spin-spin coupling constants and hyperconjugative interactions

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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...

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Autor principal:	Contreras, Rubén Horacio
Publicado:	2010
Materias:	Coupling constants Hyperconjugative interactions Natural bond orbitals NJC NMR Electronic factors Fermi contact term J coupling Natural bond orbital Qualitative analysis Spin-spin coupling constants Spin-spin couplings Amino acids Nuclear magnetic resonance Organic acids Sulfur compounds Spin dynamics
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00207608_v110_n3_p532_Contreras http://hdl.handle.net/20.500.12110/paper_00207608_v110_n3_p532_Contreras
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	paper:paper_00207608_v110_n3_p532_Contreras
record_format	dspace
spelling	paper:paper_00207608_v110_n3_p532_Contreras2023-06-08T14:41:31Z NMR spin-spin coupling constants and hyperconjugative interactions Contreras, Rubén Horacio Coupling constants Hyperconjugative interactions Natural bond orbitals NJC NMR Coupling constants Electronic factors Fermi contact term Hyperconjugative interactions J coupling Natural bond orbital Qualitative analysis Spin-spin coupling constants Spin-spin couplings Amino acids Nuclear magnetic resonance Organic acids Sulfur compounds Spin dynamics 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. Fil:Contreras, R.H. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2010 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00207608_v110_n3_p532_Contreras http://hdl.handle.net/20.500.12110/paper_00207608_v110_n3_p532_Contreras
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic	Coupling constants Hyperconjugative interactions Natural bond orbitals NJC NMR Coupling constants Electronic factors Fermi contact term Hyperconjugative interactions J coupling Natural bond orbital Qualitative analysis Spin-spin coupling constants Spin-spin couplings Amino acids Nuclear magnetic resonance Organic acids Sulfur compounds Spin dynamics
spellingShingle	Coupling constants Hyperconjugative interactions Natural bond orbitals NJC NMR Coupling constants Electronic factors Fermi contact term Hyperconjugative interactions J coupling Natural bond orbital Qualitative analysis Spin-spin coupling constants Spin-spin couplings Amino acids Nuclear magnetic resonance Organic acids Sulfur compounds Spin dynamics Contreras, Rubén Horacio NMR spin-spin coupling constants and hyperconjugative interactions
topic_facet	Coupling constants Hyperconjugative interactions Natural bond orbitals NJC NMR Coupling constants Electronic factors Fermi contact term Hyperconjugative interactions J coupling Natural bond orbital Qualitative analysis Spin-spin coupling constants Spin-spin couplings Amino acids Nuclear magnetic resonance Organic acids Sulfur compounds Spin dynamics
description	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.
author	Contreras, Rubén Horacio
author_facet	Contreras, Rubén Horacio
author_sort	Contreras, Rubén Horacio
title	NMR spin-spin coupling constants and hyperconjugative interactions
title_short	NMR spin-spin coupling constants and hyperconjugative interactions
title_full	NMR spin-spin coupling constants and hyperconjugative interactions
title_fullStr	NMR spin-spin coupling constants and hyperconjugative interactions
title_full_unstemmed	NMR spin-spin coupling constants and hyperconjugative interactions
title_sort	nmr spin-spin coupling constants and hyperconjugative interactions
publishDate	2010
url	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00207608_v110_n3_p532_Contreras http://hdl.handle.net/20.500.12110/paper_00207608_v110_n3_p532_Contreras
work_keys_str_mv	AT contrerasrubenhoracio nmrspinspincouplingconstantsandhyperconjugativeinteractions
_version_	1768544623422078976

NMR spin-spin coupling constants and hyperconjugative interactions

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