Average energy relaxation and rearrangement of solute-solvent radial distribution function in solvation dynamics: A connection between spectroscopic results and RISM theory

We calculate the relaxation dynamics of the average energy of solute-solven t systems as well as time-dependent solute-solvent radial distribution func tions by means of the reference interaction-site model (RISM) theory. Compa red with the experimental results obtained in our previous work, we suggest that the rearrangement of the further solvation shell could be important f or the relaxation dynamics of the inhomogeneous spectral band width observe d by means of transient hole-burning and time-resolved fluorescence spectro scopy. (C) 2001 Elsevier Science B.V. All rights reserved.