Laser-induced chemical reactions. [H + H/sub 2/; F + H/sub 2/; H + HF; Cl + H/sub 2/; H + HCl; H + LiF] [electronic resource].
- Published
- Berkeley, Calif. : Lawrence Berkeley National Laboratory, 1980.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy. - Physical Description
- Pages: 126 : digital, PDF file
- Additional Creators
- Lawrence Berkeley National Laboratory and United States. Department of Energy. Office of Scientific and Technical Information
Access Online
- Restrictions on Access
- Free-to-read Unrestricted online access
- Summary
- A classical model for the interaction of laser radiation with a molecular system is derived. This model is used to study the enhancement of a chemical reaction via a collision induced absorption. It was found that an infrared laser will in general enhance the rate of a chemical reaction, even if the reactants are infrared inactive. Results for an illustrative analytically solvable model are presented, as well as results from classical trajectory studies on a number of systems. The collision induced absorption spectrum in these systems can be written as the Fourier transform of a particular dipole correlation function. This is used to obtain the collision induced absorption spectrum for a state-selected, mono-energetic reactive collision system. Examples treated are a one-dimensional barrier problem, reactive and nonreactive collisions of H + H/sub 2/, and a modified H + H/sub 2/ potential energy surface which leads to a collision intermediate. An extension of the classical model to treat laser-induced electronically nonadiabatic collision processes is constructed. The model treats all degrees of freedom, molecular, electronic and radiation, in a dynamically consistent framework within classical mechanics. Application is made to several systems. Several interesting phenomena are discovered including a Franck-Condon-like effect causing maxima in the reaction probability at energies much below the classical threshold, laser de-enhancement of chemical reactions and an isotope effect. In order to assess the validity of the classical model for electronically nonadiabatic process (without a laser field), a model problem involving energy transfer in a collinear atom-diatom system is studied, and the results compared to the available quantum mechanical calculation. The calculations are in qualitative agreement.
- Report Numbers
- E 1.99:lbl-12089
lbl-12089 - Subject(s)
- Other Subject(s)
- Chlorine
- Atom-Molecule Collisions
- Fluorine
- Hydrochloric Acid
- Hydrofluoric Acid
- Hydrogen
- Lithium Fluorides
- Chemical Reaction Kinetics
- Energy Transfer
- Infrared Radiation
- Laser Radiation
- Molecules
- One-Dimensional Calculations
- Alkali Metal Compounds
- Atom Collisions
- Collisions
- Electromagnetic Radiation
- Elements
- Fluorides
- Fluorine Compounds
- Halides
- Halogen Compounds
- Halogens
- Hydrogen Compounds
- Inorganic Acids
- Kinetics
- Lithium Compounds
- Lithium Halides
- Molecule Collisions
- Nonmetals
- Radiations
- Reaction Kinetics
- Note
- Published through SciTech Connect.
12/01/1980.
"lbl-12089"
"DE81023032"
Orel, A.E. - Funding Information
- W-7405-ENG-48
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