Artículo
De Kowalewski, D.G.; Kowalewski, V.J.; Peralta, J.E.; Eskuche, G.; Contreras, R.H.; Esteban, A.L.; Galache, M.P.; Díez, E. "Intramolecular electric field effect on a 1J(C,H) NMR spin-spin coupling constant. An experimental and theoretical study" (1999) Magnetic Resonance in Chemistry. 37(3):227-231
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Abstract:
An experimental study of the effects of intramolecular electric fields on 1J(C,H) coupling constants involving a formyl proton in a series of 5-X-salicylaldehydes is reported. The particularly large electric field component along the Cc-Hf bond, calculated for X = NO2, leads to a measured substituent effect of 7.36 Hz. For other X substituents a linear correlation was found between the calculated substituent electric field component along the Cc-Hf bond and the substituent effect on 1J(Cc,Hf). To determine if 5-X substituents affect the intramolecular C=O⋯H-O hydrogen bond, NBO analyses were carried out on 5-NO2- and 5-H-salicylaldehyde, and they were compared with those corresponding to benzaldehyde and phenol. The effects of interactions other than the electrostatic one on 1J(Cc,Hf) couplings were ruled out. The experimental results are in agreement with theoretical predictions published previously. Copyright © 1999 John Wiley & Sons, Ltd.
Registro:
| Documento: | Artículo |
| Título: | Intramolecular electric field effect on a 1J(C,H) NMR spin-spin coupling constant. An experimental and theoretical study |
| Autor: | De Kowalewski, D.G.; Kowalewski, V.J.; Peralta, J.E.; Eskuche, G.; Contreras, R.H.; Esteban, A.L.; Galache, M.P.; Díez, E. |
| Filiación: | Departamento de Física, Fac. de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Pabellón 1, (1428) Buenos Aires, Argentina Depto. de Química Fisica, Universidad de Alicante, 03080-Alicante, Spain Facultad de Ciencias C2-103, Univ. Autónome de Madrid, 28049-Madrid, Spain Depto. de Química Fisica, Facultad de Ciencias, Universidad de Alicante, Apartado 99, 03080-Alicante, Spain |
| Palabras clave: | 5-X-salicylaldehydes; 13C NMR; 1J(C,H); Intramolecular electric field; NMR |
| Año: | 1999 |
| Volumen: | 37 |
| Número: | 3 |
| Página de inicio: | 227 |
| Página de fin: | 231 |
| Título revista: | Magnetic Resonance in Chemistry |
| Título revista abreviado: | Magn. Reson. Chem. |
| ISSN: | 07491581 |
| CODEN: | MRCHE |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_07491581_v37_n3_p227_DeKowalewski |
Referencias:
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Citas:
---------- APA ----------
De Kowalewski, D.G., Kowalewski, V.J., Peralta, J.E., Eskuche, G., Contreras, R.H., Esteban, A.L., Galache, M.P.,..., Díez, E. (1999) . Intramolecular electric field effect on a 1J(C,H) NMR spin-spin coupling constant. An experimental and theoretical study. Magnetic Resonance in Chemistry, 37(3), 227-231.Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_07491581_v37_n3_p227_DeKowalewski [ ]
---------- CHICAGO ----------
De Kowalewski, D.G., Kowalewski, V.J., Peralta, J.E., Eskuche, G., Contreras, R.H., Esteban, A.L., et al. "Intramolecular electric field effect on a 1J(C,H) NMR spin-spin coupling constant. An experimental and theoretical study" . Magnetic Resonance in Chemistry 37, no. 3 (1999) : 227-231.Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_07491581_v37_n3_p227_DeKowalewski [ ]
---------- MLA ----------
De Kowalewski, D.G., Kowalewski, V.J., Peralta, J.E., Eskuche, G., Contreras, R.H., Esteban, A.L., et al. "Intramolecular electric field effect on a 1J(C,H) NMR spin-spin coupling constant. An experimental and theoretical study" . Magnetic Resonance in Chemistry, vol. 37, no. 3, 1999, pp. 227-231.Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_07491581_v37_n3_p227_DeKowalewski [ ]
---------- VANCOUVER ----------
De Kowalewski, D.G., Kowalewski, V.J., Peralta, J.E., Eskuche, G., Contreras, R.H., Esteban, A.L., et al. Intramolecular electric field effect on a 1J(C,H) NMR spin-spin coupling constant. An experimental and theoretical study. Magn. Reson. Chem. 1999;37(3):227-231.Available from: https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_07491581_v37_n3_p227_DeKowalewski [ ]
