Simulations of solvation dynamics using a nonlinear response approach

被引：13

作者：

van der Meulen, P ^{[1
]}

Jonkman, AM ^{[1
]}

Glasbeek, M ^{[1
]}

机构：

[1] Univ Amsterdam, Phys Chem Lab, NL-1018 WS Amsterdam, Netherlands

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 1998年 / 102卷 / 11期

关键词：

D O I：

10.1021/jp972073j

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Simulations of the time evolution of the probability distribution function of the solvation coordinate of a solute In liquid solution are presented. Assuming impulsive excitation of the ground-state population to the excited-state free energy surface, the time dependence of the probability distribution function of the solvation coordinate is obtained by solving the Smoluchowski diffusion equation. Emphasis is on the influence of anharmonicity in the expression for the free energy surfaces on the solvation dynamics and its implications for time-resolved fluorescence measurements.

引用

页码：1906 / 1911

页数：6

共 62 条

[1] DYNAMICS OF SOLVATION AND CHARGE-TRANSFER REACTIONS IN DIPOLAR LIQUIDS [J].

BAGCHI, B .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1989, 40 :115-141

[2]

Barbara P. F., 1990, ADV PHOTOCHEM, V15, P1, DOI [DOI 10.1002/9780470133453.CHL, DOI 10.1103/PhysRevLett.88.158101]

[3] CLASSICAL SOLVENT DYNAMICS AND ELECTRON-TRANSFER .2. MOLECULAR ASPECTS [J].

CALEF, DF ;

WOLYNES, PG .

JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (01) :470-482

[4] SOLVATION DYNAMICS FOR AN ION-PAIR IN A POLAR-SOLVENT - TIME-DEPENDENT FLUORESCENCE AND PHOTOCHEMICAL CHARGE-TRANSFER [J].

CARTER, EA ;

HYNES, JT .

JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (09) :5961-5979

[5] SOLUTE-DEPENDENT SOLVENT FORCE-CONSTANTS FOR ION-PAIRS AND NEUTRAL PAIRS IN A POLAR-SOLVENT [J].

CARTER, EA ;

HYNES, JT .

JOURNAL OF PHYSICAL CHEMISTRY, 1989, 93 (06) :2184-2187

[6]

Chandler D., 1987, Introduction to Modern Statistical Mechanics

[7] RELATIONSHIP BETWEEN ENERGY-GAP TIME CORRELATION AND FLUORESCENCE STOKES SHIFT CORRELATION-FUNCTIONS IN SOLVATION DYNAMICS [J].

CHANDRA, A ;

BAGCHI, B .

CHEMICAL PHYSICS LETTERS, 1990, 165 (01) :93-99

[8] ULTRAFAST RELAXATION IN THE FLUORESCENT STATE OF THE LASER-DYE DCM [J].

EASTER, DC ;

BARONAVSKI, AP .

CHEMICAL PHYSICS LETTERS, 1993, 201 (1-4) :153-158

[9]

ELSAESSER T, 1991, ANNU REV PHYS CHEM, V42, P83

[10] MONTE-CARLO SIMULATION STUDY ON ENERGY-GAP DEPENDENCE OF ELECTRON-TRANSFER REACTIONS IN POLAR SOLUTION - EFFECT OF ELECTRONIC POLARIZABILITY OF SOLVENT [J].

ENOMOTO, Y ;

KAKITANI, T ;

YOSHIMORI, A ;

HATANO, Y .

CHEMICAL PHYSICS LETTERS, 1991, 186 (4-5) :366-371

← 1 2 3 4 5 6 7 →