Molecular reorientation in hydrogen-bonding liquids: through algebraic ∼t⁻³∕² relaxation toward exponential decay

Gelin, M.F., and Kosov, D.S. (2006) Molecular reorientation in hydrogen-bonding liquids: through algebraic ∼t⁻³∕² relaxation toward exponential decay. Journal of Chemical Physics, 124 (14). 144514. pp. 1-8.

[img] PDF (Published Version) - Published Version
Restricted to Repository staff only

View at Publisher Website: http://dx.doi.org/10.1063/1.2191058
 
17
1


Abstract

We present a model for the description of orientational relaxation in hydrogen-bonding liquids. The model contains two relaxation parameters which regulate the intensity and efficiency of dissipation, as well as the memory function which is responsible for the short-time relaxation effects. It is shown that the librational portion of the orientational relaxation is described by an algebraic ∼t⁻³∕²contribution, on top of which more rapid and nonmonotonous decays caused by the memory effects are superimposed. The long-time behavior of the orientational relaxation is exponential, although nondiffusional. It is governed by the rotational energy relaxation. We apply the model to interpret recent molecular dynamic simulations and polarization pump-probe experiments on HOD in liquid D₂O.

Item ID: 26474
Item Type: Article (Research - C1)
ISSN: 1089-7690
Date Deposited: 20 Jun 2013 23:25
FoR Codes: 02 PHYSICAL SCIENCES > 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics > 020201 Atomic and Molecular Physics @ 50%
03 CHEMICAL SCIENCES > 0307 Theoretical and Computational Chemistry > 030704 Statistical Mechanics in Chemistry @ 50%
SEO Codes: 97 EXPANDING KNOWLEDGE > 970102 Expanding Knowledge in the Physical Sciences @ 100%
Downloads: Total: 1
More Statistics

Actions (Repository Staff Only)

Item Control Page Item Control Page