Estimation of the rotation-inversion energies of the H2DO+ and D2HO+ molecular ions
✍ Scribed by V. Danielis; V. S̆pirko
- Book ID
- 107802356
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 198 KB
- Volume
- 117
- Category
- Article
- ISSN
- 0022-2852
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Using a sudden transition state theory we find that photodissociation of long-lived resonances of DzH+ leads to the H+ fragment for total angular momentum JC 27 while D+ is formed for J> 30. This quantum result which is critically dependent on the difference of zero-point energies between D2 and HD
Since the activation energy for the reaction R H + 0 2 -+ R . + HO; is very close to its endothermicity, the R-H bond energy can be calculated from the activation energy for free radical formation by the reaction R H + 0 2 . The relation between Ei and QR-H was found empirically after measuring Ei b