Abstract:
The difference between 1Jcc(Z) and 1Jcc (E) for acetoxime is experimentally and theoretically studied as a nitrogen lone-pair orientational effect. Experimentally, it is observed that this difference almost disappears upon full protonation. Theoretically, the most recent version of the IPPP program is used, finding that the N lone pair contributes to the couplings a positive component for 1Jcc(Z) and a negative one for 1Jcc(E), which are found to be the main cause of this difference. © 1989.
Registro:
Documento: |
Artículo
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Título: | Theoretical and experimental study of the orientational nitrogen lone-pair effect on 1J(13C13C) couplings in acetoxime |
Autor: | Krivdin, L.B.; Zinchenko, S.V.; Shcherbakov, V.V.; Kalabin, G.A.; Contreras, R.H.; Tufro, M.F.; Ruiz de Azua, M.C.; Giribet, C.G. |
Filiación: | Department of Chemistry, University ofirkutsk, Irkutsk, 664003, Russian Federation Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pab. 1, 1428 Buenos Aires, Argentina
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Año: | 1989
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Volumen: | 84
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Número: | 1
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Página de inicio: | 1
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Página de fin: | 8
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DOI: |
http://dx.doi.org/10.1016/0022-2364(89)90002-4 |
Título revista: | Journal of Magnetic Resonance (1969)
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ISSN: | 00222364
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Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00222364_v84_n1_p1_Krivdin |
Referencias:
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Citas:
---------- APA ----------
Krivdin, L.B., Zinchenko, S.V., Shcherbakov, V.V., Kalabin, G.A., Contreras, R.H., Tufro, M.F., Ruiz de Azua, M.C.,..., Giribet, C.G.
(1989)
. Theoretical and experimental study of the orientational nitrogen lone-pair effect on 1J(13C13C) couplings in acetoxime. Journal of Magnetic Resonance (1969), 84(1), 1-8.
http://dx.doi.org/10.1016/0022-2364(89)90002-4---------- CHICAGO ----------
Krivdin, L.B., Zinchenko, S.V., Shcherbakov, V.V., Kalabin, G.A., Contreras, R.H., Tufro, M.F., et al.
"Theoretical and experimental study of the orientational nitrogen lone-pair effect on 1J(13C13C) couplings in acetoxime"
. Journal of Magnetic Resonance (1969) 84, no. 1
(1989) : 1-8.
http://dx.doi.org/10.1016/0022-2364(89)90002-4---------- MLA ----------
Krivdin, L.B., Zinchenko, S.V., Shcherbakov, V.V., Kalabin, G.A., Contreras, R.H., Tufro, M.F., et al.
"Theoretical and experimental study of the orientational nitrogen lone-pair effect on 1J(13C13C) couplings in acetoxime"
. Journal of Magnetic Resonance (1969), vol. 84, no. 1, 1989, pp. 1-8.
http://dx.doi.org/10.1016/0022-2364(89)90002-4---------- VANCOUVER ----------
Krivdin, L.B., Zinchenko, S.V., Shcherbakov, V.V., Kalabin, G.A., Contreras, R.H., Tufro, M.F., et al. Theoretical and experimental study of the orientational nitrogen lone-pair effect on 1J(13C13C) couplings in acetoxime. 1989;84(1):1-8.
http://dx.doi.org/10.1016/0022-2364(89)90002-4