Artículo
Abstract:
Proximity effects on 1J(CH) couplings are studied from a theoretical point of view in the following systems: CH4/FH (A) and H2O/HCN (B) which form dimers by hydrogen-bond interactions. 1J(CH) couplings for different intermolecular distances are calculated for the C - H bond facing the atom bearing lone pairs. While in the former system, this coupling is increased owing to the proximity to the F atom; in the latter this coupling is decreased owing to the proximity to the O atom. These opposite trends are accompanied by slight shortening and lengthening, respectively, of the corresponding C - H bond lengths. As part of this work, measurements of 1J(CH) couplings in 9-(1,3-dioxolan-2-yl)-1,2,3,4-tetrafluorotriptycene (I) and 1-formyl-2-hydroxy-8-fluoronaphthalene (II) and 1J(NH) in o-fluorobenzamide (III), showing proximity effects as those described above are carried out. These results suggest that 1J(XH) couplings are adequate probes to distinguish two different types of X-H⋯Y hydrogen bonds. © 1994 American Chemical Society.
Registro:
| Documento: | Artículo |
| Título: | Proximity effects on nuclear spin-spin coupling constants. 1. 1J(CH) couplings in the vicinity of an atom bearing lone pairs |
| Autor: | Vizioli, C.; De Ruiz Azúa, M.C.; Giribet, C.G.; Contreras, R.H.; Turi, L.; Dannenberg, J.J.; Rae, I.D.; Weigold, J.A.; Malagoli, M.; Zanasi, R.; Lazzeretti, P. |
| Filiación: | Departamento de Física, Facultad de Ciencias Exactas y Naturales, Ciudad Universitaria, Pabellón 1, 1428, Buenos Aires, Argentina City University of New York, Hunter College and Graduate School, 695 Park Avenue, New York, NY 10021, United States Department of Chemistry, Monash University, Clayton, Vic. 3168, Australia Dipartimento di Cimica, Universitá di Modena, Modena, Italy Argentine National Research Council |
| Año: | 1994 |
| Volumen: | 98 |
| Número: | 36 |
| Página de inicio: | 8858 |
| Página de fin: | 8861 |
| Título revista: | Journal of Physical Chemistry |
| ISSN: | 00223654 |
| PDF: | https://bibliotecadigital.exactas.uba.ar/download/paper/paper_00223654_v98_n36_p8858_Vizioli.pdf |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00223654_v98_n36_p8858_Vizioli |
Citas:
---------- APA ----------
Vizioli, C., De Ruiz Azúa, M.C., Giribet, C.G., Contreras, R.H., Turi, L., Dannenberg, J.J., Rae, I.D.,..., Lazzeretti, P. (1994) . Proximity effects on nuclear spin-spin coupling constants. 1. 1J(CH) couplings in the vicinity of an atom bearing lone pairs. Journal of Physical Chemistry, 98(36), 8858-8861.Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00223654_v98_n36_p8858_Vizioli [ ]
---------- CHICAGO ----------
Vizioli, C., De Ruiz Azúa, M.C., Giribet, C.G., Contreras, R.H., Turi, L., Dannenberg, J.J., et al. "Proximity effects on nuclear spin-spin coupling constants. 1. 1J(CH) couplings in the vicinity of an atom bearing lone pairs" . Journal of Physical Chemistry 98, no. 36 (1994) : 8858-8861.Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00223654_v98_n36_p8858_Vizioli [ ]
---------- MLA ----------
Vizioli, C., De Ruiz Azúa, M.C., Giribet, C.G., Contreras, R.H., Turi, L., Dannenberg, J.J., et al. "Proximity effects on nuclear spin-spin coupling constants. 1. 1J(CH) couplings in the vicinity of an atom bearing lone pairs" . Journal of Physical Chemistry, vol. 98, no. 36, 1994, pp. 8858-8861.Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00223654_v98_n36_p8858_Vizioli [ ]
---------- VANCOUVER ----------
Vizioli, C., De Ruiz Azúa, M.C., Giribet, C.G., Contreras, R.H., Turi, L., Dannenberg, J.J., et al. Proximity effects on nuclear spin-spin coupling constants. 1. 1J(CH) couplings in the vicinity of an atom bearing lone pairs. 1994;98(36):8858-8861.Available from: https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00223654_v98_n36_p8858_Vizioli [ ]
