Energy randomisation. How much of rotational phase space is explored? How long does it take?

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In applying modern theories (RRKM) of unimolecular reaction, it is necessary to decide the volume of phase space in which the energy is assumed to be randomized. The question of whether the K rotational quantum number is conserved impacts on that choice. The conceptual sequence from experimental spectra, through analysis, and interpretation in terms of K relaxation is described for ethanol and 1-butyne in the 3 micron region. The interpretation of molecular eigenstate spectra involves identification of the bright state from the coherent excitation of part of the spectrum, evaluation of the rate of energy transfer out of the bright ... continued below

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30 p.

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Perry, D. S.; Bethardy, G. A.; Davis, M. J. & Go, J. December 1995.

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In applying modern theories (RRKM) of unimolecular reaction, it is necessary to decide the volume of phase space in which the energy is assumed to be randomized. The question of whether the K rotational quantum number is conserved impacts on that choice. The conceptual sequence from experimental spectra, through analysis, and interpretation in terms of K relaxation is described for ethanol and 1-butyne in the 3 micron region. The interpretation of molecular eigenstate spectra involves identification of the bright state from the coherent excitation of part of the spectrum, evaluation of the rate of energy transfer out of the bright state, deducing the mechanism of the coupling of the bright state to the bath states, and modeling the spectra in order to determine the average coupling parameters for anharmonic coupling and Coriolis interactions.

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30 p.

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OSTI as DE96007264

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  • RSC general discussion meeting 102: unimolecular reaction dynamics, Oxford (United Kingdom), 19-21 Dec 1995

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  • Other: DE96007264
  • Report No.: ANL/CHM/CP--87753
  • Report No.: CONF-951229--3
  • Grant Number: FG02-90ER14151;W-31109-ENG-38
  • Office of Scientific & Technical Information Report Number: 198676
  • Archival Resource Key: ark:/67531/metadc668965

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  • December 1995

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  • June 29, 2015, 9:42 p.m.

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  • Dec. 14, 2015, 5:12 p.m.

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Perry, D. S.; Bethardy, G. A.; Davis, M. J. & Go, J. Energy randomisation. How much of rotational phase space is explored? How long does it take?, article, December 1995; Illinois. (digital.library.unt.edu/ark:/67531/metadc668965/: accessed September 24, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.