Artículo
Afonin, A.V.; Vizioli, C.; Ruiz De Azua, M.; Contreras, R.H. "Analysis of effect of specific C-H...X interaction on the direct 13 C- 1 H spin-spin coupling constants based on ab initio quantum-chemical calculations" (1996) Russian Chemical Bulletin. 45(6):1292-1295
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Abstract:
An ab initio quantum-chemical calculation of the direct 13 C- 1 H spin-spin coupling constants in the CH 4 -H 2 O system was carried out and experimental data obtained for a series of N-vinyl compounds were analyzed. The specific C-H...X (X = O, N) intramolecular interactions result in increasing the direct 13 C- 1 H spin-spin coupling constant of the hydrogen involved in bonding and decreasing the direct 13 C- 1 H spin-spin coupling constant for the hydrogen atom that takes no part in the interaction.
Registro:
| Documento: | Artículo |
| Título: | Analysis of effect of specific C-H...X interaction on the direct 13 C- 1 H spin-spin coupling constants based on ab initio quantum-chemical calculations |
| Autor: | Afonin, A.V.; Vizioli, C.; Ruiz De Azua, M.; Contreras, R.H. |
| Filiación: | Irkutsk Inst. of Organic Chemistry, Siberian Branch, Russian Academy of Sciences, 1 ul. Favorskogo, 664033 Irkutsk, Russian Federation Department of Physics, Fac. of Exact and Natural Sciences, University of Buenos Aires, Buenos Aires, 1428, Argentina |
| Palabras clave: | ab initio quantum-chemical calculations; Direct spin-spin coupling constants 13 C- 1 H; Specific intramolecular C-H...X interactions |
| Año: | 1996 |
| Volumen: | 45 |
| Número: | 6 |
| Página de inicio: | 1292 |
| Página de fin: | 1295 |
| DOI: | http://dx.doi.org/10.1007/BF01434199 |
| Título revista: | Russian Chemical Bulletin |
| Título revista abreviado: | Russ. Chem. Bull. |
| ISSN: | 10665285 |
| CODEN: | RCBUE |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10665285_v45_n6_p1292_Afonin |
Referencias:
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Citas:
---------- APA ----------
Afonin, A.V., Vizioli, C., Ruiz De Azua, M. & Contreras, R.H. (1996) . Analysis of effect of specific C-H...X interaction on the direct 13 C- 1 H spin-spin coupling constants based on ab initio quantum-chemical calculations. Russian Chemical Bulletin, 45(6), 1292-1295.http://dx.doi.org/10.1007/BF01434199
---------- CHICAGO ----------
Afonin, A.V., Vizioli, C., Ruiz De Azua, M., Contreras, R.H. "Analysis of effect of specific C-H...X interaction on the direct 13 C- 1 H spin-spin coupling constants based on ab initio quantum-chemical calculations" . Russian Chemical Bulletin 45, no. 6 (1996) : 1292-1295.http://dx.doi.org/10.1007/BF01434199
---------- MLA ----------
Afonin, A.V., Vizioli, C., Ruiz De Azua, M., Contreras, R.H. "Analysis of effect of specific C-H...X interaction on the direct 13 C- 1 H spin-spin coupling constants based on ab initio quantum-chemical calculations" . Russian Chemical Bulletin, vol. 45, no. 6, 1996, pp. 1292-1295.http://dx.doi.org/10.1007/BF01434199
---------- VANCOUVER ----------
Afonin, A.V., Vizioli, C., Ruiz De Azua, M., Contreras, R.H. Analysis of effect of specific C-H...X interaction on the direct 13 C- 1 H spin-spin coupling constants based on ab initio quantum-chemical calculations. Russ. Chem. Bull. 1996;45(6):1292-1295.http://dx.doi.org/10.1007/BF01434199
