Abstract:
The 500 MHz NMR spectra of water-benzene solution near saturation at 303.15, 323.15, and 343.15 K indicate that there is a proton-proton exchange between the water and benzene molecules. In the solution water appears to be present as a dimer attached to the benzene π cloud on one side of each of the two (initially degenerate) fundamental energy levels, as predicted by the Jahn-Teller effect. This view is reinforced by the fact that one of its hydrogen atoms hovers above one of the carbon atoms and the other three are spread upward around the C6 axis of the benzene molecule. It is also supported by the calculated NMR spectra. Both effects are responsible for the change in the NMR spectra of the water molecules from a single line into four AB signals. © 2006 American Chemical Society.
Registro:
Documento: |
Artículo
|
Título: | The liquid water-benzene system |
Autor: | Baron, M.; Kowalewski, V.J. |
Filiación: | Facultad de Ciencias Exactas y Naturales, Universldad de Belgrano, Villanueva 1324, 1426 Buenos Aires, Argentina Facultad de Ciencias Exactas, Uniuersidad de Buenos Aires, Ciudad Universitaria, Pabellón, 1, 1426 Buenos-Aires, Argentina
|
Palabras clave: | Atomic beams; Benzene; Dimers; Hydrogen; Molecular dynamics; Nuclear magnetic resonance; Protons; Saturation (materials composition); Solutions; Water; Hydrogen atoms hovers; Jahn-Teller effects; Proton-proton exchange; Water molecules; Binary mixtures; benzene; proton; water; article; chemical structure; chemistry; dimerization; hydrophobicity; nuclear magnetic resonance spectroscopy; Benzene; Dimerization; Hydrophobicity; Magnetic Resonance Spectroscopy; Models, Molecular; Protons; Water |
Año: | 2006
|
Volumen: | 110
|
Número: | 22
|
Página de inicio: | 7122
|
Página de fin: | 7129
|
DOI: |
http://dx.doi.org/10.1021/jp0555908 |
Título revista: | Journal of Physical Chemistry A
|
Título revista abreviado: | J Phys Chem A
|
ISSN: | 10895639
|
CODEN: | JPCAF
|
CAS: | benzene, 71-43-2; proton, 12408-02-5, 12586-59-3; water, 7732-18-5; Benzene, 71-43-2; Protons; Water, 7732-18-5
|
Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10895639_v110_n22_p7122_Baron |
Referencias:
- Suzuki, S., Green, P.G., Baumgartner, R.E., Dasgupta, S., Godard III, W., Blake, G.A., (1992) Science, 257, p. 942
- Augspurger, J.D., Dykstra, C.E., Zwier, T.S., (1992) J. Phys. Chem., 96, p. 7252
- Backx, P., Goldman, S., (1981) J. Phys. Chem., 85, p. 2975
- Cheng, B.M., Grover, J.R., Walters, E.A., (1995) Chem. Phys. Lett., 232, p. 364
- Baron, M., (1979) An. Asoc. Quim. Argent., 67, p. 203
- Christian, S.D., Taha, A.A., Gash, B.W., (1970) Q. Rev., 24, p. 20
- Baron, M., Mechetti, H., (1982) J. Phys. Chem., 86, p. 3464
- Glasstone, S., (1946) Textbook of Physical Chemistry, 2nd Ed., p. 632. , Van Nostrand: New York
- Christian, S.D., Affsprung, H.E., Johnson, J.R., Warley, J.D., (1963) J. Chem. Educ., 40 (8), p. 419
- Dailey, G.W., Huff, R.B., Kang, J., Queen, L.D., Paterson, C.S., (1961) J. Chem. Educ., 38 (1), p. 28
- Brubacker Jr., C.H., Johnson, C.E., Knop, S.P., Betts, F., (1957) J. Chem. Educ., 34 (1), p. 42
- Liu, K., Cruzan, J.D., Saykally, R.J., (1996) Science, 277, p. 929
- Pfeilsticker, K., Lotter, A., Peters, C., Bösch, H., (2003) Science, 500, p. 2078
- Marx, D., (2004) Science, 303, p. 634
- Wakai, M.N.C., Yosimoto, Y., Matubashi, Y., (1996) J. Phys. Chem., 700, p. 1345. , references cited therein
- Kusanagi, H., (1996) Chemistry Lett., p. 41
- Pribble, N.R., Zwier, T.S., (1994) Science, 265, p. 75
- Greinacker, E., Luttke, W., Mecke, R., (1955) Elektochem, Z., 58, p. 23
- Dobrowolski, J., Jamróz, M.H., (1993) J. Mol. Struct., 293, p. 147
- Augspurger, J.D., Dykstra, C.E., Zwier, T.S., (1993) J. Phys. Chem., 97, p. 980
- Grunwald, E., Steel, C., (1993) Pure Appl. Chem., 65, p. 2543
- Fredericks, S.Y., Jordan, K.D., Zwier, T.S., (1996) J. Phys. Chem., 700, p. 7810
- Feller, D., (1999) J. Phys. Chem. A, 703, p. 7558
- Novoa, J.J., Mota, F., (2000) Chem. Phys. Lett., 318, p. 345
- Bakker, H.J., Nienhuys, H.K., (2002) Science, 297, p. 587
- Ibrahim, Y., Alsharaeh, E., Dias, K., Meot-Ner, M., Samy El-Shall, M., (2004) J. Am. Chem. Soc., 726, p. 12766
- Johnson, C.E., Bovey, F.A., (1958) J. Chem. Phys., 29, p. 1012
- Bovey, F.A., Jelinski, L., Mirau, P.A., (1988) Nuclear Magnetic Resonnce Spectroscopy, 2nd Ed., , Academic Press: New York, and references cited therein
- Jahn, H.S.A., Teller, E., (1937) Proc. R. Soc. London, 161, p. 220
- Cartwell, E., Fowles, G.W.A., (1963) Valence and Molecular Structure, , Butterworth: London, Figure 40
- (1958) Tables of Interatomic Distances and Configuration in Molecules and Ions, p. 1965. , Sutton, L. E., Ed. The Chemical Society Special Publication, Nos. 11 and 18; The Chemical Society: London
- Otting, G., Liepinsh, E., Wüthrich, K., (1991) Science, 254, p. 974
- Lin, J., Balabin, I.S., Beratan, D.N., (2005) Science, 310, p. 1311
- Ohtani, H., Wilson, R.J., Chiang, S., Mate, C.M., (1988) Phys. Rev. Lett., 60, p. 2398. , See also the 1988 IBM report with an interesting picture of the benzene molecule, adsorbed on a palladium surface
- (1997) IUPAC Gold Book, 2nd Ed., p. 81. , International Union of Pure and Applied Chemistry: Oxford, U.K
Citas:
---------- APA ----------
Baron, M. & Kowalewski, V.J.
(2006)
. The liquid water-benzene system. Journal of Physical Chemistry A, 110(22), 7122-7129.
http://dx.doi.org/10.1021/jp0555908---------- CHICAGO ----------
Baron, M., Kowalewski, V.J.
"The liquid water-benzene system"
. Journal of Physical Chemistry A 110, no. 22
(2006) : 7122-7129.
http://dx.doi.org/10.1021/jp0555908---------- MLA ----------
Baron, M., Kowalewski, V.J.
"The liquid water-benzene system"
. Journal of Physical Chemistry A, vol. 110, no. 22, 2006, pp. 7122-7129.
http://dx.doi.org/10.1021/jp0555908---------- VANCOUVER ----------
Baron, M., Kowalewski, V.J. The liquid water-benzene system. J Phys Chem A. 2006;110(22):7122-7129.
http://dx.doi.org/10.1021/jp0555908