Issue 14, 2007
From the journal:

Physical Chemistry Chemical Physics

Mode-specific energy absorption by solvent molecules during CO2 vibrational cooling

Alexander Kandratsenka,*a   Jörg Schroeder,a   Dirk Schwarzera  and  Vyacheslav S. Vikhrenkob  

* Corresponding authors

a Abteilung Spektroskopie und Photochemische Kinetik, Max-Planck-Institut für Biophysikalische Chemie, Am Faßberg 11, and Institut für Physikalische Chemie, Universität Göttingen, Tammanstraße 6, Göttingen, Germany, Germany
E-mail: akandra@gwdg.de

b Department of Theoretical Mechanics, Belarusian State Technological University, Sverdlova str. 13a, Minsk, Belarus
E-mail: vvikhre@mail.ru

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.

Graphical abstract: Mode-specific energy absorption by solvent molecules during CO2 vibrational cooling

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Article information

DOI
https://doi.org/10.1039/B618452A
Article type
Paper
Submitted
18 Dec 2006
Accepted
01 Feb 2007
First published
23 Feb 2007

Phys. Chem. Chem. Phys., 2007,9, 1688-1692

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Mode-specific energy absorption by solvent molecules during CO2 vibrational cooling

A. Kandratsenka, J. Schroeder, D. Schwarzer and V. S. Vikhrenko, Phys. Chem. Chem. Phys., 2007, 9, 1688 DOI: 10.1039/B618452A

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