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Abstract:

Participation of the proton in a specific intramolecular C-H...X (X = N, O) interaction leads to an increase in its geminal 1 H- 1 H and 1 H- 31 P spin-spin coupling constants (SSCC). According to ab initio calculations carried out in the 6-31G** basis set, the observed effect is mainly due to the change in the diamagnetic spin-orbital contribution to SSCC.

Registro:

Documento: Artículo
Título:Dependence of geminal 1 H- 1 H and 31 P- 1 H spin-spin coupling constants on the specific intramolecular C-H...X interaction
Autor:Afonin, A.V.; Perez, D.E.; Ruiz De Azua, M.C.; Contreras, R.H.; Lazzeretti, P.
Filiación:Irkutsk Inst. of Organic Chemistry, Siberian Branch, Russian Academy of Sciences, 1 ul. Favorskogo, 664033 Irkutsk, Russian Federation
Department of Chemistry and Physics, National University of Rio Cuarto, 5800 Rio Cuarto, Argentina
Department of Physics, Fac. of Exact and Natural Sciences, University of Buenos Aires, 1428 Buenos Aires, Argentina
Department of Chemistry, University of Modena, Modena, Italy
Palabras clave:Diamagnetic spin-orbital interaction; Specific intramolecular C-H...X interactions, geminal 1 H- 1 H and 31 P- 1 H spin-spin coupling constants, ab initio calculations
Año:1997
Volumen:46
Número:2
Página de inicio:292
Página de fin:296
DOI: http://dx.doi.org/10.1007/BF02494365
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_v46_n2_p292_Afonin

Referencias:

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Citas:

---------- APA ----------
Afonin, A.V., Perez, D.E., Ruiz De Azua, M.C., Contreras, R.H. & Lazzeretti, P. (1997) . Dependence of geminal 1 H- 1 H and 31 P- 1 H spin-spin coupling constants on the specific intramolecular C-H...X interaction. Russian Chemical Bulletin, 46(2), 292-296.
http://dx.doi.org/10.1007/BF02494365
---------- CHICAGO ----------
Afonin, A.V., Perez, D.E., Ruiz De Azua, M.C., Contreras, R.H., Lazzeretti, P. "Dependence of geminal 1 H- 1 H and 31 P- 1 H spin-spin coupling constants on the specific intramolecular C-H...X interaction" . Russian Chemical Bulletin 46, no. 2 (1997) : 292-296.
http://dx.doi.org/10.1007/BF02494365
---------- MLA ----------
Afonin, A.V., Perez, D.E., Ruiz De Azua, M.C., Contreras, R.H., Lazzeretti, P. "Dependence of geminal 1 H- 1 H and 31 P- 1 H spin-spin coupling constants on the specific intramolecular C-H...X interaction" . Russian Chemical Bulletin, vol. 46, no. 2, 1997, pp. 292-296.
http://dx.doi.org/10.1007/BF02494365
---------- VANCOUVER ----------
Afonin, A.V., Perez, D.E., Ruiz De Azua, M.C., Contreras, R.H., Lazzeretti, P. Dependence of geminal 1 H- 1 H and 31 P- 1 H spin-spin coupling constants on the specific intramolecular C-H...X interaction. Russ. Chem. Bull. 1997;46(2):292-296.
http://dx.doi.org/10.1007/BF02494365