Exo‐exo and endo‐endo vicinal proton spin‐spin coupling constants in norbornane and norbornene. An IPPP‐CLOPPA analysis

The IPPP‐CLOPPA method is used to study the origin of the difference between exo‐exo and endo‐endo vicinal interproton couplings in norbornane and norbornene. The main pathway defining such couplings is found to be determined by the corresponding CH bonds and antibonds. For this reason they can be...

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Autores principales: Cavasotto, Claudio Norberto, Giribet, Claudia Gloria, Contreras, Rubén Horacio
Publicado: 1991
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01928651_v12_n2_p141_Cavasotto
http://hdl.handle.net/20.500.12110/paper_01928651_v12_n2_p141_Cavasotto
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_01928651_v12_n2_p141_Cavasotto
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spelling paper:paper_01928651_v12_n2_p141_Cavasotto2023-06-08T15:19:57Z Exo‐exo and endo‐endo vicinal proton spin‐spin coupling constants in norbornane and norbornene. An IPPP‐CLOPPA analysis Cavasotto, Claudio Norberto Giribet, Claudia Gloria Contreras, Rubén Horacio The IPPP‐CLOPPA method is used to study the origin of the difference between exo‐exo and endo‐endo vicinal interproton couplings in norbornane and norbornene. The main pathway defining such couplings is found to be determined by the corresponding CH bonds and antibonds. For this reason they can be considered to be transmitted through space. Contributions from excitations involving MOs of bridge 7 and the CH endo and exo bonds and antibonds are found to be negligible in both compounds. Even though bridges 5–6 and 7 are not included in the coupling pathway, they influence the structure of endo and exo CH bonds, and thus cause the nonequivalence of endo‐endo and exo‐exo couplings. Results obtained with the NNBI method are compared to those of IPPP‐CLOPPA. Copyright © 1991 John Wiley & Sons, Inc. Fil:Cavasotto, C.N. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Giribet, C.G. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Contreras, R.H. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 1991 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01928651_v12_n2_p141_Cavasotto http://hdl.handle.net/20.500.12110/paper_01928651_v12_n2_p141_Cavasotto
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
description The IPPP‐CLOPPA method is used to study the origin of the difference between exo‐exo and endo‐endo vicinal interproton couplings in norbornane and norbornene. The main pathway defining such couplings is found to be determined by the corresponding CH bonds and antibonds. For this reason they can be considered to be transmitted through space. Contributions from excitations involving MOs of bridge 7 and the CH endo and exo bonds and antibonds are found to be negligible in both compounds. Even though bridges 5–6 and 7 are not included in the coupling pathway, they influence the structure of endo and exo CH bonds, and thus cause the nonequivalence of endo‐endo and exo‐exo couplings. Results obtained with the NNBI method are compared to those of IPPP‐CLOPPA. Copyright © 1991 John Wiley & Sons, Inc.
author Cavasotto, Claudio Norberto
Giribet, Claudia Gloria
Contreras, Rubén Horacio
spellingShingle Cavasotto, Claudio Norberto
Giribet, Claudia Gloria
Contreras, Rubén Horacio
Exo‐exo and endo‐endo vicinal proton spin‐spin coupling constants in norbornane and norbornene. An IPPP‐CLOPPA analysis
author_facet Cavasotto, Claudio Norberto
Giribet, Claudia Gloria
Contreras, Rubén Horacio
author_sort Cavasotto, Claudio Norberto
title Exo‐exo and endo‐endo vicinal proton spin‐spin coupling constants in norbornane and norbornene. An IPPP‐CLOPPA analysis
title_short Exo‐exo and endo‐endo vicinal proton spin‐spin coupling constants in norbornane and norbornene. An IPPP‐CLOPPA analysis
title_full Exo‐exo and endo‐endo vicinal proton spin‐spin coupling constants in norbornane and norbornene. An IPPP‐CLOPPA analysis
title_fullStr Exo‐exo and endo‐endo vicinal proton spin‐spin coupling constants in norbornane and norbornene. An IPPP‐CLOPPA analysis
title_full_unstemmed Exo‐exo and endo‐endo vicinal proton spin‐spin coupling constants in norbornane and norbornene. An IPPP‐CLOPPA analysis
title_sort exo‐exo and endo‐endo vicinal proton spin‐spin coupling constants in norbornane and norbornene. an ippp‐cloppa analysis
publishDate 1991
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01928651_v12_n2_p141_Cavasotto
http://hdl.handle.net/20.500.12110/paper_01928651_v12_n2_p141_Cavasotto
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AT giribetclaudiagloria exoexoandendoendovicinalprotonspinspincouplingconstantsinnorbornaneandnorborneneanipppcloppaanalysis
AT contrerasrubenhoracio exoexoandendoendovicinalprotonspinspincouplingconstantsinnorbornaneandnorborneneanipppcloppaanalysis
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