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dc.contributor.author
Favaro, Denize C.  
dc.contributor.author
Contreras, Ruben Horacio  
dc.contributor.author
Tormena, Cláudio F.  
dc.date.available
2015-10-02T20:15:29Z  
dc.date.issued
2013-06-29  
dc.identifier.citation
Favaro, Denize C.; Contreras, Ruben Horacio; Tormena, Cláudio F.; Unusual Through-Space, TS, Pathway for the Transmission of JFHf Coupling: 2‑Fluorobenzaldehyde Study Case; American Chemical Society; Journal of Physical Chemistry A; 117; 33; 29-6-2013; 7939-7945  
dc.identifier.issn
1089-5639  
dc.identifier.uri
http://hdl.handle.net/11336/2295  
dc.description.abstract
The 1 H NMR spectra of the title compound in nonpolar and polar solvents and theoretical calculation of spin−spin coupling constants (SSCCs) show that TSJFHf SSCC, where TS stands for “through-space”, in polar solvents is amenable to measurement only in the trans conformer. The mechanisms for transmission pathways to such unusual SSCCs are rationalized in terms of the molecular electronic structure. It is stressed that such a result calls for some caution when intending to use TSJFH as a probe to detect the spatial proximity between fluorine and hydrogen atoms.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
American Chemical Society  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
Through-Space  
dc.subject
J(Fh) Couplings  
dc.subject
Fluorobenzaldehyde  
dc.subject.classification
Físico-Química, Ciencia de los Polímeros, Electroquímica  
dc.subject.classification
Ciencias Químicas  
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS  
dc.title
Unusual Through-Space, TS, Pathway for the Transmission of JFHf Coupling: 2‑Fluorobenzaldehyde Study Case  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2016-03-30 10:35:44.97925-03  
dc.journal.volume
117  
dc.journal.number
33  
dc.journal.pagination
7939-7945  
dc.journal.pais
Estados Unidos  
dc.journal.ciudad
Washington  
dc.description.fil
Fil: Favaro, Denize C.. Universidade Estadual de Campinas; Brasil  
dc.description.fil
Fil: Contreras, Ruben Horacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina  
dc.description.fil
Fil: Tormena, Cláudio F.. Universidade Estadual de Campinas; Brasil  
dc.journal.title
Journal of Physical Chemistry A  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/jp402618c  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/DOI:10.1021/jp402618c  

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