Artículo
Orendt, A.M.; Biekofsky, R.R.; Pomilio, A.B.; Contreras, R.H.; Facelli, J.C. "Ab initio and 17O NMR study of aromatic compounds with dicoordinate oxygen atoms. 2. Intramolecular hydrogen bonding in hydroxy- and methoxybenzene derivatives" (1991) Journal of Physical Chemistry. 95(16):6179-6181
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Abstract:
The 17O chemical shifts of several ortho-substituted phenols and anisoles are presented along with those of the corresponding para-substituted compounds. The measurements of the various ortho-para pairs were done in the same solvent and at the same temperature in order to experimentally estimate the effect of intramolecular hydrogen bonding on the 17O chemical shielding in the ortho compounds by using the ortho-para equivalence rule. Ab initio calculations of the 17O chemical shieldings reproduce well the experimental findings and provide a theoretical description of the hydrogen-bonding effect on the 17O chemical shifts. © 1991 American Chemical Society.
Registro:
| Documento: | Artículo |
| Título: | Ab initio and 17O NMR study of aromatic compounds with dicoordinate oxygen atoms. 2. Intramolecular hydrogen bonding in hydroxy- and methoxybenzene derivatives |
| Autor: | Orendt, A.M.; Biekofsky, R.R.; Pomilio, A.B.; Contreras, R.H.; Facelli, J.C. |
| Filiación: | Department of Chemistry, University of Utah, Salt Lake City, UT 84112, United States Departamento de Química Organica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires (1428), Argentina Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires (1428), Argentina Utah Supercomputing Institute, Department of Chemistry, University of Utah, Salt Lake City, UT 84112, United States Argentine National Research Council (CONICET) |
| Año: | 1991 |
| Volumen: | 95 |
| Número: | 16 |
| Página de inicio: | 6179 |
| Página de fin: | 6181 |
| Título revista: | Journal of Physical Chemistry |
| ISSN: | 00223654 |
| PDF: | https://bibliotecadigital.exactas.uba.ar/download/paper/paper_00223654_v95_n16_p6179_Orendt.pdf |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00223654_v95_n16_p6179_Orendt |
Citas:
---------- APA ----------
Orendt, A.M., Biekofsky, R.R., Pomilio, A.B., Contreras, R.H. & Facelli, J.C. (1991) . Ab initio and 17O NMR study of aromatic compounds with dicoordinate oxygen atoms. 2. Intramolecular hydrogen bonding in hydroxy- and methoxybenzene derivatives. Journal of Physical Chemistry, 95(16), 6179-6181.Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00223654_v95_n16_p6179_Orendt [ ]
---------- CHICAGO ----------
Orendt, A.M., Biekofsky, R.R., Pomilio, A.B., Contreras, R.H., Facelli, J.C. "Ab initio and 17O NMR study of aromatic compounds with dicoordinate oxygen atoms. 2. Intramolecular hydrogen bonding in hydroxy- and methoxybenzene derivatives" . Journal of Physical Chemistry 95, no. 16 (1991) : 6179-6181.Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00223654_v95_n16_p6179_Orendt [ ]
---------- MLA ----------
Orendt, A.M., Biekofsky, R.R., Pomilio, A.B., Contreras, R.H., Facelli, J.C. "Ab initio and 17O NMR study of aromatic compounds with dicoordinate oxygen atoms. 2. Intramolecular hydrogen bonding in hydroxy- and methoxybenzene derivatives" . Journal of Physical Chemistry, vol. 95, no. 16, 1991, pp. 6179-6181.Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00223654_v95_n16_p6179_Orendt [ ]
---------- VANCOUVER ----------
Orendt, A.M., Biekofsky, R.R., Pomilio, A.B., Contreras, R.H., Facelli, J.C. Ab initio and 17O NMR study of aromatic compounds with dicoordinate oxygen atoms. 2. Intramolecular hydrogen bonding in hydroxy- and methoxybenzene derivatives. 1991;95(16):6179-6181.Available from: https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00223654_v95_n16_p6179_Orendt [ ]
