: |
: |
|---|
- HYDROGEN ELIMINATION FROM SMALL RADICALS.
L. MENDOZA, E. MIKESELL, L. NGUYEN AND P. E. FLEMING, Department of Chemistry, California State University at Sacramento, Sacramento, CA 95819.
Reaction pathways have been calculated for the elimination of a
- hydrogen from several small radicals. Structural and thermodynamic information is predicted by the calculations. Calculated structural changes are consistent with very simple models of chemical bonding involving a change in the orbital hybridization of the large fragment atom involved in the bond that is dissociated. Calculations at the MP2/6-311g* level give thermodynamic values which are in modest agreement with experiment.