Molecular theory of ion solvation dynamics in water, acetonitrile and methanol: A unified microscopic description of collective dynamics in dipolar liquids

Roy, Srabani; Bagchi, Biman

doi:10.1007/bf02866919

Cited by 2 publications

(1 citation statement)

References 18 publications

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“…The theoretical treatment ranges from simple continuum theories, ,,,− which consider the solvent to be a pure hydrodynamic continuum, to more complex models, ,,,,− where the molecular structure of the solvent is considered. The latter theories allow one to define the process of solvation in terms of solvation shells and especially to define the extensions and behavior of the first solvation shells around the solute.…”

Section: Introductionmentioning

confidence: 99%

Influence of Confinement on the Solvation and Rotational Dynamics of Coumarin 153 in Ethanol

et al. 2003

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The solvation and rotational dynamics of the chromophore coumarin 153 in ethanol confined in sol-gel glasses with average pore sizes of 50 and 25 Å have been investigated and compared with the dynamics of the respective bulk solution. The measurements show that no adsorption of the chromophore at the inner pore surface occurs. Nevertheless, the amplitude and the dynamics of the Stokes shift as well as the time-resolved anisotropy are drastically changed upon confinement. The solvation dynamics in the confined solutions show nonexponential behavior comparable to that in the bulk. However, the whole solvation process slows down, and the single decay-time constants characterizing it increase with decreasing pore size of the sol-gel glass. However, an increase of the mean rotational diffusion time constant sets in until the pore diameter decreases to less than 50 Å. Two phenomenological models are put forward to rationalize this behavior. The model of a surface solvent layer with changed physical properties such as the viscosity and dielectric constant focuses on the interaction of the liquid with the inner pore surface reducing the molecular mobility and resulting in longer relaxation times. The modified polarization field model takes into account the confinement and predicts a variation of the solvent's reaction field induced by a preferential alignment along the pore walls. Probably both effects are of relevance in the confined solutions investigated. Confinement affects the steady-state spectra and leads to a red shift of the absorption and a blue shift of the fluorescence.

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Section: Introductionmentioning

confidence: 99%

Influence of Confinement on the Solvation and Rotational Dynamics of Coumarin 153 in Ethanol

et al. 2003

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Ionic and dipolar solvation dynamics in liquid water

Nandi

Roy

Bagchi

1994

Proc. Indian Acad. Sci. (Chem. Sci.)

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The solvation time correlation function for solvation in liquid water was measured recently. The solvation was found to be very fast, with a time constant equal to 55 fs. In this article we present theoretical studies on solvation dynamics of ionic and dipolar solutes in liquid water, based on the molecular hydrodynamic approach developed earlier. The molecular hydrodynamic theory can successfully predict the ultrafast dynamics of solvation in liquid water as observed from recent experiments. The present study also reveals some interesting aspects of dipolar solvation dynamics, which differs significantly from that of ionic solvation.

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Molecular theory of ion solvation dynamics in water, acetonitrile and methanol: A unified microscopic description of collective dynamics in dipolar liquids

Cited by 2 publications

References 18 publications

Influence of Confinement on the Solvation and Rotational Dynamics of Coumarin 153 in Ethanol

Influence of Confinement on the Solvation and Rotational Dynamics of Coumarin 153 in Ethanol

Ionic and dipolar solvation dynamics in liquid water

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