Vibrational relaxation of trapped molecules in solid matrices: OH(A 2Sigma+; v = 1)/Ar

The Journal of Chemical Physics
J ReeH K Shin

Abstract

The vibrational relaxation of OH(A (2)Sigma(+);v=1) embedded in solid Ar has been studied over 4-80 K. The interaction model is based on OH undergoing local motions in a cage formed by a face-centered cubic stacking where the first shell atoms surround the guest and connect it to the heat bath through 12 ten-atom chains. The motions confined to the cage are the local translation and libration-rotation of OH and internal vibrations in OH...Ar, their energies being close to or a few times the energies of nearby first shell and chain atoms. The cage dynamics are studied by solving the equations of motion for the interaction between OH and first shell atoms, while energy propagation to the bulk phase through lattice chains is treated in the Langevin dynamics. Calculated energy transfer data are used in semiclassical procedure to obtain rate constants. In the early stage of interaction, OH transfers its energy to libration-rotation intramolecularily and then to the vibrations of the first shell and chain atoms on the time scale of several picoseconds. Libration-to-rotational transitions dispense the vibrational energy in small packages comparable to the lattice frequencies for ready flow. Energy propagation from the chains to the he...Continue Reading

References

Feb 1, 1993·Physical Review. B, Condensed Matter·J GanemR E Norberg
Oct 16, 2004·The Journal of Chemical Physics·Hisashi Abe, Koichi M T Yamada
Nov 13, 2004·The Journal of Chemical Physics·H K Shin
Apr 20, 2005·The Journal of Chemical Physics·Anders Engdahl, Bengt Nelander
Feb 9, 2007·Physical Chemistry Chemical Physics : PCCP·M GührN Schwentner
Apr 14, 2007·The Journal of Chemical Physics·Evgeny PopovJussi Eloranta
Aug 1, 1971·Applied Optics·J T Yardley

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Citations

Mar 18, 2010·The Journal of Chemical Physics·H K Shin
May 2, 2009·The Journal of Chemical Physics·Toni KiljunenJussi Eloranta

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