Dynamics of ionic solvation

Rips, Ilya; Klafter, Joseph; Jortner, Joshua

doi:10.1063/1.453920

Cited by 214 publications

(65 citation statements)

References 49 publications

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“…The properties of liquid mixtures have attracted much attention in the literature from both theoretical and practical viewpoints. The study of mixture properties is necessary for various practical applications [1][2][3][4][5][6][7].…”

Section: Introductionmentioning

confidence: 99%

Density functional study of hydrogen‐bonded acetonitrile–water complex

Chaudhari

Lee

2004

Int J of Quantum Chemistry

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ABSTRACT:We report the interaction of acetonitrile with one, two, and three water molecules using the Density Functional Theory method and the 6-31ϩG* basis set. Different conformers were studied and the most stable conformer of acetonitrile-(water) n complex has total energies -209.1922504, -285.6224478, and -362.068728 hartrees with one, two, and three water molecules, respectively. The corresponding binding energy for these three structures is 4.52, 8.34, and 22.48 kcal/ mol. The hydrogen-bonding results in blue, blue, and redshift in CϵN stretching mode in acetonitrile with one, two, and three water molecules, respectively, whereas there was a redshift in O-H symmetric stretching mode of water.

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Section: Introductionmentioning

confidence: 99%

Density functional study of hydrogen‐bonded acetonitrile–water complex

Chaudhari

Lee

2004

Int J of Quantum Chemistry

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“…A fictitious electric dipole was chosen because the dipolar energy is linear in field, so that the response function describing the production of the reaction field will involve an electric field autocorrelation function. This reaction field was then calculated within a quasistatic approximation 4,38,39 to electrodynamics in which the Fourier components of time-varying fields and charge distributions are assumed to obey the static limit of Maxwell's equations. The result relates the noncontact friction to the independently measurable frequencydependent dielectric function and was shown to describe the relative friction coefficients of the three polymer samples studied 18 as well as the dependence of the noncontact friction coefficient on tip-sample separation.…”

Section: Introductionmentioning

confidence: 99%

Dielectric fluctuations in force microscopy: Noncontact friction and frequency jitter

Yazdanian

Marohn

Loring

2008

The Journal of Chemical Physics

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Electric force microscopy, in which a charged probe oscillates tens to hundreds of nanometers above a sample surface, provides direct mechanical detection of relaxation in molecular materials. Noncontact friction, the damping of the probe's motions, reflects the dielectric function at the resonant frequency of the probe, while fluctuations in the probe frequency are induced by slower molecular motions. We present a unified theoretical picture of both measurements, which relates the noncontact friction and the power spectrum of the frequency jitter to dielectric properties of the sample and to experimental geometry. Each observable is related to an equilibrium correlation function associated with electric field fluctuations, which is determined by two alternative, complementary strategies for a dielectric continuum model of the sample. The first method is based on the calculation of a response function associated with the polarization of the dielectric by a time-varying external charge distribution. The second approach employs a stochastic form of Maxwell's equations, which incorporate a fluctuating electric polarization, to compute directly the equilibrium correlation function in the absence of an external charge distribution. This approach includes effects associated with the propagation of radiation. In the experimentally relevant limit that the tip-sample distance is small compared to pertinent wavelengths of radiation, the two methods yield identical results. Measurements of the power spectrum of frequency fluctuations of an ultrasensitive cantilever together with measurements of the noncontact friction over a poly͑methylmethacrylate͒ film are used to estimate the minimum experimentally detectable frequency jitter. The predicted jitter for this polymer is shown to exceed this threshold, demonstrating the feasibility of the measurement.

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“…Subsequent effort in this field has led to a large body of data regarding solvation dynamics [3][4][5][6][7]. In parallel, the theoretical approaches have been increasing in their level of sophistication [8][9][10][11][12]. Most of the previous work deals with fluorophores in liquids of low viscosity.…”

Section: Introductionmentioning

confidence: 97%

Dielectric Aspects of Dipolar Solvation at the Glass Transition

Richert¹

1994

Disorder Effects on Relaxational Processes

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Dynamics of ionic solvation

Cited by 214 publications

References 49 publications

Density functional study of hydrogen‐bonded acetonitrile–water complex

Density functional study of hydrogen‐bonded acetonitrile–water complex

Dielectric fluctuations in force microscopy: Noncontact friction and frequency jitter

Dielectric Aspects of Dipolar Solvation at the Glass Transition

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