Artículo
Tormena, C.F.; Vilcachagua, J.D.; Karcher, V.; Rittner, R.; Contreras, R.H. "Experimental and theoretical investigation of NMR2JHH coupling constant on six-membered ring systems containing oxygen or sulfur atoms" (2007) Magnetic Resonance in Chemistry. 45(7):590-594
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Abstract:
Theoretical and experimental 2JHH coupling constants for six-membered rings containing oxygen or sulfur atoms were studied to investigate whether the 2JHH coupling constant can be used for stereoelectronic studies in heterocyclohexanes, instead of 1JCH, because it is well known that experimental measurements of 2JHH coupling constants at low temperature are much easier to determine than the corresponding 1JCH couplings. For all compounds studied here, the 2JHH coupling constants are affected by σ*C-H antibonding occupancy together with bond angle effects. For cyclohexane and oxygen-containing compounds, the influence on the geminal coupling for H ax-C2-Heq and for X1-C 2-X3 (X = O and C), bond angles are more pronounced than for the sulfur derivatives. Copyright © 2007 John Wiley & Sons, Ltd.
Registro:
| Documento: | Artículo |
| Título: | Experimental and theoretical investigation of NMR2JHH coupling constant on six-membered ring systems containing oxygen or sulfur atoms |
| Autor: | Tormena, C.F.; Vilcachagua, J.D.; Karcher, V.; Rittner, R.; Contreras, R.H. |
| Filiación: | Chemistry Institute, State University of Campinas, Caixa Postal 6154, CEP:13084-971, Campinas, Sao Paulo, Brazil Department of Physics, University of Buenos Aires, Ciudad Universitaria, Pab. 1, (1426) Buenos Aires, Argentina Chemistry Institute, State University of Campinas, CP 6154, CEP: 13084-971, Campinas, SP, Brazil |
| Palabras clave: | Bond angle; Geminal spin-spin coupling constant; Hyperconjugative interactions; Six-membered ring |
| Año: | 2007 |
| Volumen: | 45 |
| Número: | 7 |
| Página de inicio: | 590 |
| Página de fin: | 594 |
| DOI: | http://dx.doi.org/10.1002/mrc.2014 |
| Título revista: | Magnetic Resonance in Chemistry |
| Título revista abreviado: | Magn. Reson. Chem. |
| ISSN: | 07491581 |
| CODEN: | MRCHE |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_07491581_v45_n7_p590_Tormena |
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Citas:
---------- APA ----------
Tormena, C.F., Vilcachagua, J.D., Karcher, V., Rittner, R. & Contreras, R.H. (2007) . Experimental and theoretical investigation of NMR2JHH coupling constant on six-membered ring systems containing oxygen or sulfur atoms. Magnetic Resonance in Chemistry, 45(7), 590-594.http://dx.doi.org/10.1002/mrc.2014
---------- CHICAGO ----------
Tormena, C.F., Vilcachagua, J.D., Karcher, V., Rittner, R., Contreras, R.H. "Experimental and theoretical investigation of NMR2JHH coupling constant on six-membered ring systems containing oxygen or sulfur atoms" . Magnetic Resonance in Chemistry 45, no. 7 (2007) : 590-594.http://dx.doi.org/10.1002/mrc.2014
---------- MLA ----------
Tormena, C.F., Vilcachagua, J.D., Karcher, V., Rittner, R., Contreras, R.H. "Experimental and theoretical investigation of NMR2JHH coupling constant on six-membered ring systems containing oxygen or sulfur atoms" . Magnetic Resonance in Chemistry, vol. 45, no. 7, 2007, pp. 590-594.http://dx.doi.org/10.1002/mrc.2014
---------- VANCOUVER ----------
Tormena, C.F., Vilcachagua, J.D., Karcher, V., Rittner, R., Contreras, R.H. Experimental and theoretical investigation of NMR2JHH coupling constant on six-membered ring systems containing oxygen or sulfur atoms. Magn. Reson. Chem. 2007;45(7):590-594.http://dx.doi.org/10.1002/mrc.2014
