**************** The 8th., Lab Seminar ****************************

Date: Thu, October 29, 2009  PM 1:30-

Place: No.616 Seminar room
　　　　　　 Graduate School of Information Science

Speaker: Takuya Okamoto

Title: Mode-specific energy absorption by solvent molecules during CO2
vibrational cooling
A. Kandratsenka, J. Schroeder, D. Schwarzer, V. S. Vikhrenko,
Phys. Chem. Chem. Phys., 2007, 9, 1688

Abstract:
Non-equilibrium molecular dynamics (NEMD) simulations of energy transfer
from vibrationally excited CO2 to CCl4 and CH2Cl2 solvent molecules are
performed to identify the efficiency of different energy pathways into the
solvent bath. Studying in detail the work performed by the vibrationally
excited solute on the different solvent degrees of freedom, it is shown that
vibration-to-vibration (V?V) processes are strongly dominant and controlled
by those accepting modes which are close in frequency to the CO2 bend
and symmetric stretch vibration.

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