New Mechanism for H 2 Formation in Water
โ Scribed by LaVerne, Jay A.; Pimblott, S. M.
- Book ID
- 118177814
- Publisher
- American Chemical Society
- Year
- 2000
- Tongue
- English
- Weight
- 35 KB
- Volume
- 104
- Category
- Article
- ISSN
- 1089-5639
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๐ SIMILAR VOLUMES
The mechanisms of the reactions of diborane with ammonia have been investigated by ab initio molecular orbital methods. The activation barrier of the formation of aminoborane, H,&NHr, from the adduct, H,B : NHs, of borane and ammonia is high (over 40 kcal/mol), because it is a reaction essentially
H +Hz collisions at higher impact parameters can result in the trajectory being deflected towards a collinear Ha configuration by the long range barrier to the insertion mechanism. When the H2 molecule is stretched, this trajectory will be temporarily trapped within a well about the collinear config