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2. Calculation of activation energies for hydrogen-atom abstractions by radicals containing carbon triple bonds

Author

Robert Leonard Brown and Allan H. Laufer

Subjects
Hydrogen, Radical, General Engineering, chemistry.chemical_element, Activation energy, Hydrogen atom, Photochemistry, Triple bond, Methane, chemistry.chemical_compound, chemistry, Chemical bond, Physical and Theoretical Chemistry, Carbon
Abstract

Activation energies are calculated by the bond-energy-bond-order (BEBO) and the bond-strength-bond-length (BSBL) methods for the reactions of C2H radicals with H2, CH4, and C2H6 and for the reactions of CN radicals with H2 and CH4. The BSBL technique accurately predicts the activation energies for these reactions while the BEBO method yields energies averaging 9 kcal higher than those observed. A possible reason for the disagreement is considered.

Published
1981
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