Determination of stepsize parameters for intermolecular vibrational energy transfer

Technical Report · Thu Jun 01 04:00:00 EDT 1989

DOI:https://doi.org/10.2172/5439852· OSTI ID:5439852

Tardy, D. C.

The understanding of intermolecular vibrational energy transfer (IVET) is important since it is involved in any mechanism in which internal energy is added or removed from molecules. The database for the details of IVET for highly excited polyatomic molecules is inadequate and must be expanded. The overall objectives of this project are: (1) to determine the dependence of energy relaxation on excitation energy and on the molecular complexity of substrate and deactivator, (2) to assess the importance of intermolecular attractions on IVET, (3) to obtain more detailed information on the energy distribution after collision, and (4) to evaluate the importance of IVET on high temperature unimolecular reactions. The first three objectives are being met by experimentally measuring the time evolution of the average energy of the vibrationally excited species (hydro- and fluoro- carbons excited by a pulsed CO{sub 2} laser) and the average energy transferred into relative translation via time resolved IR spectrometry, interferometry and optoacoustic techniques. Trajectory calculations simulating IVET are being performed for model substrate/deactivator pairs to provide additional details and insight on the critical parameters. Our calculations for high temperature unimolecular reactions indicate that IVET effects are significant and must be correctly taken into account. 9 refs., 3 figs., 6 tabs.

• Research Organization: Iowa Univ., Iowa City, IA (USA)
• Sponsoring Organization: DOE/ER
• DOE Contract Number: FG02-87ER13700
• OSTI ID: 5439852
• Report Number(s): DOE/ER/13700-2; ON: DE90003346
• Country of Publication: United States
• Language: English

Related Subjects

640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
COLLISIONS
DOCUMENT TYPES
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITATION
EXCITED STATES
MATHEMATICAL MODELS
MOLECULES
POLYATOMIC MOLECULES
PROGRESS REPORT
RELAXATION
VIBRATIONAL STATES