Abstract:
The difference between cis and trans 13C77Se 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 13C77Se coupling via an Se‐electron‐pair…HC bond coupling pathway. The influence of the steric compression of the Se‐electron pairs on the one‐bond 13C77Se couplings is also discussed. Copyright © 1986 John Wiley & Sons, Ltd.
Registro:
Documento: |
Artículo
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Título: | Analysis of unusual 13C77Se 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
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Año: | 1986
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Volumen: | 24
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Número: | 8
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Página de inicio: | 675
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Página de fin: | 678
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DOI: |
http://dx.doi.org/10.1002/mrc.1260240809 |
Título revista: | Magnetic Resonance in Chemistry
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Título revista abreviado: | Magn. Reson. Chem.
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ISSN: | 07491581
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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
- Engelmann, A.R., Contreras, R.H., Transmission mechanisms of spin-spin coupling constants within theCHF approximation: Their study using inner projections of the polarization propagator (1983) International Journal of Quantum Chemistry, 23, p. 1033
- Natiello, M.A., Scuseria, G.E., Contreras, R.H., (1984) Chem. Phys. Lett., 108, p. 589
- Engelmann, A.R., Natiello, M.A., Scuseria, G.E., Contreras, R.H., Comput. Phys. Commun. in press; Pople, J.A., Gordon, M.S., (1967) J. Am. Chem. Soc., 89, p. 4253
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- Blizzard, A.C., Santry, D.P., (1971) J. Chem. Phys., 55, p. 950
- Linderberg, J., Öhrn, Y., (1973) Propagators in Quantum Chemistry., , Academic Press, London
- Ewing, D.F., (1982) Specialist Periodical Reports on NMR, 11, p. 71. , edited by, G. A. Webb, Royal Society Chemistry, London
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Citas:
---------- APA ----------
Contreras, R.H., de Azúa, M.C.R. & Giribet, C.G.
(1986)
. Analysis of unusual 13C77Se 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 13C77Se 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 13C77Se 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 13C77Se couplings in the 13C NMR spectra of selenoimidates. Magn. Reson. Chem. 1986;24(8):675-678.
http://dx.doi.org/10.1002/mrc.1260240809