Artículo
Rodriguez, J.; Laria, D.; Guàrdia, E.; Martí, J. "Dynamics of water nanodroplets and aqueous protons in non-ionic reverse micelles" (2009) Physical Chemistry Chemical Physics. 11(10):1484-1490
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Abstract:
We present a study of the microscopic dynamics of water trapped in reverse non-ionic micelles by means of a series of molecular dynamics simulations. The analysis of the effects of micellar confinement on spectroscopical properties of an excess proton has also been considered. Our micelles were microemulsions made with the neutral surfactant diethylene glycol monodecyl ether [CH 3(CH2)11(OC2H4) 2OH]. Simulation experiments including the proton species were performed using a multistate empirical valence bond Hamiltonian model. Diffusion of water in the micelle is markedly slower than that in the bulk liquid, in the same fashion as happens with reorientational dynamics. Spectral densities of hydrogens revealed a blue-shift of the OH-stretching vibration together with a split of the main band into two components. Absorption lineshapes of the solvated proton in the vicinity of the internal surface of the micelle indicate the coexistence of Eigen-like and Zundel-like structures and a tendency to red-shifting (compared to the aqueous unconstrained excess proton case) of the two relevant spectral bands (around 2000 and 2500 wavenumbers) mainly due to the slower dynamics of proton vibrations in water near interfaces. © 2009 The Owner Societies.
Registro:
| Documento: | Artículo |
| Título: | Dynamics of water nanodroplets and aqueous protons in non-ionic reverse micelles |
| Autor: | Rodriguez, J.; Laria, D.; Guàrdia, E.; Martí, J. |
| Filiación: | Departamento de Química Inorgánica, Analítica y Química-Física, INQUIMAE, Pabellón II, 1428, Argentina Unidad Actividad Química, Comisión Nacional de Energía Atómica, Avenida Libertador 8250, 1429, Buenos Aires, Argentina Departament de Física i Enginyeria Nuclear, Universitat Politècnica de Catalunya, B4-B5 Campus Nord, 08034, Barcelona, Catalonia, Spain |
| Año: | 2009 |
| Volumen: | 11 |
| Número: | 10 |
| Página de inicio: | 1484 |
| Página de fin: | 1490 |
| DOI: | http://dx.doi.org/10.1039/b816827j |
| Título revista: | Physical Chemistry Chemical Physics |
| Título revista abreviado: | Phys. Chem. Chem. Phys. |
| ISSN: | 14639076 |
| CODEN: | PPCPF |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_14639076_v11_n10_p1484_Rodriguez |
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Citas:
---------- APA ----------
Rodriguez, J., Laria, D., Guàrdia, E. & Martí, J. (2009) . Dynamics of water nanodroplets and aqueous protons in non-ionic reverse micelles. Physical Chemistry Chemical Physics, 11(10), 1484-1490.http://dx.doi.org/10.1039/b816827j
---------- CHICAGO ----------
Rodriguez, J., Laria, D., Guàrdia, E., Martí, J. "Dynamics of water nanodroplets and aqueous protons in non-ionic reverse micelles" . Physical Chemistry Chemical Physics 11, no. 10 (2009) : 1484-1490.http://dx.doi.org/10.1039/b816827j
---------- MLA ----------
Rodriguez, J., Laria, D., Guàrdia, E., Martí, J. "Dynamics of water nanodroplets and aqueous protons in non-ionic reverse micelles" . Physical Chemistry Chemical Physics, vol. 11, no. 10, 2009, pp. 1484-1490.http://dx.doi.org/10.1039/b816827j
---------- VANCOUVER ----------
Rodriguez, J., Laria, D., Guàrdia, E., Martí, J. Dynamics of water nanodroplets and aqueous protons in non-ionic reverse micelles. Phys. Chem. Chem. Phys. 2009;11(10):1484-1490.http://dx.doi.org/10.1039/b816827j
