Abstract:
Inter‐proton long‐range and ring couplings were measured in o‐anisaldehyde and in seven disubstituted anisoles. In order to investigate the transmission mechanisms of long‐range couplings with the methoxy group, partially restricted molecular orbital (PRMO) calculations were carried out within the FPT‐INDO method on o‐anisaldehyde. σ‐ and π‐electron, and through‐space transmitted components were separated. For the energetically favoured trans‐OMe conformation a through‐space component was found for the couplings of the methyl protons with the ortho‐proton, and it was found that its sign, as well as its magnitude, depends on their relative positions. If free rotation, however, is assumed for the methyl group, the averaged value for this coupling constant is negative. Copyright © 1981 Heyden & Son Ltd.
Registro:
Documento: |
Artículo
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Título: | Transmission mechanisms of inter‐proton long‐range couplings in substituted anisoles |
Autor: | de Kowalewski, D.G.; Contreras, R.H.; Engelmann, A.R.; Facelli, J.C.; Durán, J.C. |
Filiación: | Departamento de Física, Facultad de Ciencias Exactas Y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellón 1, Buenos Aires, 1428, Argentina
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Año: | 1981
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Volumen: | 17
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Número: | 3
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Página de inicio: | 199
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Página de fin: | 203
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DOI: |
http://dx.doi.org/10.1002/mrc.1270170314 |
Título revista: | Organic Magnetic Resonance
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Título revista abreviado: | Magn. Reson. Chem.
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ISSN: | 00304921
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Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00304921_v17_n3_p199_deKowalewski |
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Citas:
---------- APA ----------
de Kowalewski, D.G., Contreras, R.H., Engelmann, A.R., Facelli, J.C. & Durán, J.C.
(1981)
. Transmission mechanisms of inter‐proton long‐range couplings in substituted anisoles. Organic Magnetic Resonance, 17(3), 199-203.
http://dx.doi.org/10.1002/mrc.1270170314---------- CHICAGO ----------
de Kowalewski, D.G., Contreras, R.H., Engelmann, A.R., Facelli, J.C., Durán, J.C.
"Transmission mechanisms of inter‐proton long‐range couplings in substituted anisoles"
. Organic Magnetic Resonance 17, no. 3
(1981) : 199-203.
http://dx.doi.org/10.1002/mrc.1270170314---------- MLA ----------
de Kowalewski, D.G., Contreras, R.H., Engelmann, A.R., Facelli, J.C., Durán, J.C.
"Transmission mechanisms of inter‐proton long‐range couplings in substituted anisoles"
. Organic Magnetic Resonance, vol. 17, no. 3, 1981, pp. 199-203.
http://dx.doi.org/10.1002/mrc.1270170314---------- VANCOUVER ----------
de Kowalewski, D.G., Contreras, R.H., Engelmann, A.R., Facelli, J.C., Durán, J.C. Transmission mechanisms of inter‐proton long‐range couplings in substituted anisoles. Magn. Reson. Chem. 1981;17(3):199-203.
http://dx.doi.org/10.1002/mrc.1270170314