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Abstract:

The difference between cis and trans 13C77Se couplings reported recently for selenoimidates is analyzed using the IPPP‐INDO method, which allows a study of the stereochemical behaviour of differently transmitted components of electron‐mediated spin‐spin coupling constants. It is concluded that a large through‐space transmission of the Fermi contact term takes place for the cis 13C77Se coupling via an Se‐electron‐pair…HC bond coupling pathway. The influence of the steric compression of the Se‐electron pairs on the one‐bond 13C77Se couplings is also discussed. Copyright © 1986 John Wiley & Sons, Ltd.

Registro:

Documento: Artículo
Título:Analysis of unusual 13C77Se couplings in the 13C NMR spectra of selenoimidates
Autor:Contreras, R.H.; de Azúa, M.C.R.; Giribet, C.G.
Filiación:Departamento de Física, Facultad de Ciencias Exactas Y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellón I, Buenos Aires, 1428, Argentina
Año:1986
Volumen:24
Número:8
Página de inicio:675
Página de fin:678
DOI: http://dx.doi.org/10.1002/mrc.1260240809
Título revista:Magnetic Resonance in Chemistry
Título revista abreviado:Magn. Reson. Chem.
ISSN:07491581
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_07491581_v24_n8_p675_Contreras

Referencias:

  • Meese, C.O., Walter, W., Unusual13C/77se couplings in the13C NMR spectra of selenoimidates (1985) Magnetic Resonance in Chemistry, 23, p. 327
  • Contreras, R.H., Natiello, M.A., Scuseria, G.E., (1985) Magn. Reson. Rev., 9, p. 239
  • Natiello, M.A., Contreras, R.H., (1984) Chem. Phys. Lett., 104, p. 568
  • Contreras, R.H., Natiello, M.A., Tufró, M.F., de Kowalewski, D.G., Z. Phys. Chem. (Leipzig) in press; Contreras, R.H., Giribet, C.G., Natiello, M.A., Pérez, J., Rae, I.D., Weigold, J.A., Experimental and Theoretical-Study of Carbon-Fluorine Couplings in the NMR-Spectra of 2-Fluoroaryl Ketones (1985) Australian Journal of Chemistry, 38, p. 1779
  • Pople, J.A., Beveridge, D.L., (1970) Approximate Molecular Orbital Theory, , McGraw‐Hill, New York
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  • Natiello, M.A., Scuseria, G.E., Contreras, R.H., (1984) Chem. Phys. Lett., 108, p. 589
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Citas:

---------- APA ----------
Contreras, R.H., de Azúa, M.C.R. & Giribet, C.G. (1986) . Analysis of unusual 13C77Se couplings in the 13C NMR spectra of selenoimidates. Magnetic Resonance in Chemistry, 24(8), 675-678.
http://dx.doi.org/10.1002/mrc.1260240809
---------- CHICAGO ----------
Contreras, R.H., de Azúa, M.C.R., Giribet, C.G. "Analysis of unusual 13C77Se couplings in the 13C NMR spectra of selenoimidates" . Magnetic Resonance in Chemistry 24, no. 8 (1986) : 675-678.
http://dx.doi.org/10.1002/mrc.1260240809
---------- MLA ----------
Contreras, R.H., de Azúa, M.C.R., Giribet, C.G. "Analysis of unusual 13C77Se couplings in the 13C NMR spectra of selenoimidates" . Magnetic Resonance in Chemistry, vol. 24, no. 8, 1986, pp. 675-678.
http://dx.doi.org/10.1002/mrc.1260240809
---------- VANCOUVER ----------
Contreras, R.H., de Azúa, M.C.R., Giribet, C.G. Analysis of unusual 13C77Se couplings in the 13C NMR spectra of selenoimidates. Magn. Reson. Chem. 1986;24(8):675-678.
http://dx.doi.org/10.1002/mrc.1260240809