Thermal Rate Constants for the O( 3 P) + HBr and O( 3 P) + DBr Reactions: Transition-State Theory and Quantum Mechanical Calculations
β Scribed by de Oliveira-Filho, Antonio G. S.; Ornellas, Fernando R.; Peterson, Kirk A.; Mielke, Steven L.
- Book ID
- 126193363
- Publisher
- American Chemical Society
- Year
- 2013
- Tongue
- English
- Weight
- 544 KB
- Volume
- 117
- Category
- Article
- ISSN
- 1089-5639
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π SIMILAR VOLUMES
## Abstract A flow tube method has been used to determine rate constants for the elementary reactions: equation image Oxygen atoms were produced by adding a small excess of NO to a stream of partially dissociated nitrogen, and their reaction with hydrogen halide was monitored by observing the int
## Abstract Earlier work on the reactions of O(^3^P) atoms with HCl and HBr has been extended by measuring rate constants for equation image A flowβtube method was used with chemiluminescent monitoring of the removal of atomic oxygen. Rate constants were measured at temperatures between 340 and 4
Rate constants for the reaction O(3p)+ O3 (IAI) --, 202 (X 32g ) are reported using variational transition state theory. A semi-empirical potential energy surface based on a double many-body expansion method due to Varandas and Pais is used to obtain transition state information. The computed rate c