Effect of vibrational excitation of the reagents on the rates of chemical reactions. The reaction Li + H/sub 2/

Journal Article · Mon Sep 01 00:00:00 EDT 1986 · High Energy Chem. (Engl. Transl.); (United States)

OSTI ID:7138475

Grigor'eva, T M; Levitskii, A A; Polak, L S

The classical trajectories method was used to calculate the smoothed cross sections and rate constants for the exchange reaction Li(/sub 2/S) + H/sup 2/ (X/sup 2/..sigma../sub g/ /sup +/, v) ..-->.. LiH (X/sup 1/..sigma../sup +/) + H(/sup 2/S) and dissociation reaction Li (/sup 2/S) + H/sub 2/ (X/sup 1/..sigma../sub g/ /sup +/, v) ..-->.. Li(/sup 2/S) + H(/sup 2/S) + H(/sup 2/S) for different vibrational levels v of the hydrogen molecule. The smoothed cross sections were approximated by the expression epsilon about theta(..beta..E/sub +/ + ..gamma..E/sub v/ -epsilon epsilon), where epsilon is the reaction threshold, theta (x) a Heaviside function, and ..beta.. and ..gamma.. represent the degrees of participation of translational (E/sub t/ ) and vibrational (E/sub v/ ) energy in the reaction. For the exchange reaction the values ..beta.. = 0.3, ..gamma.. = 1.0 were obtained; consequently in this case vibrational energy is more efficient than translational energy in overcoming the activation barrier.

• Research Organization: A.N. Topchiev Institute of Petrochemical Synthesis, Acad. of Sci.
• OSTI ID: 7138475
• Journal Information: High Energy Chem. (Engl. Transl.); (United States), Vol. 20:2
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
HYDROGEN
CHEMICAL REACTION KINETICS
VIBRATIONAL STATES
LITHIUM
HYDRIDATION
LITHIUM HYDRIDES
DISSOCIATION
ACTIVATION ENERGY
CALCULATION METHODS
CROSS SECTIONS
EXCITATION
GROUND STATES
POTENTIAL ENERGY
ROTATIONAL STATES
TRAJECTORIES
ALKALI METAL COMPOUNDS
ALKALI METALS
CHEMICAL REACTIONS
ELEMENTS
ENERGY
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITED STATES
HYDRIDES
HYDROGEN COMPOUNDS
KINETICS
LITHIUM COMPOUNDS
METALS
NONMETALS
REACTION KINETICS
400201* - Chemical & Physicochemical Properties