Ab initio potential surface calculations for the H + H/sub 2/O and H + HF hydrogen atom exchange reactions
Conference
·
OSTI ID:7176371
The calculations reveal that the H + H/sub 2/O and H + HF exchange reactions are both characterized by a large energy barrier (on the order of 20 to 30 kcal/mole) and a transition state possessing significant Rydberg 3s character on the central atom. The presence of high energy barriers means that both exchange reactions will be extremely slow except at very high temperatures.
- Research Organization:
- Mound Lab., Miamisburg, Ohio (USA); Aerospace Corp., El Segundo, Calif. (USA)
- DOE Contract Number:
- E-33-1-GEN-53
- OSTI ID:
- 7176371
- Report Number(s):
- MLM-2332(OP); CONF-760130-1
- Resource Relation:
- Conference: 12. international symposium on free radicals, Laguna Beach, CA, USA, 4 Jan 1976
- Country of Publication:
- United States
- Language:
- English
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