MRD-CI study of potential wells and activation barrier of the SN2 reaction H− + CH3F → CH4 + F−
✍ Scribed by R. Vetter; L. Zülicke
- Book ID
- 119116969
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 593 KB
- Volume
- 170
- Category
- Article
- ISSN
- 0166-1280
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📜 SIMILAR VOLUMES
Activation barriers of the title reactions are calculated usmg a DZ + P basis set with diffuse p functions on negative ions. In the correlation effects, which are large and negatwe, the importance of single and triple excitations is stressed-The barrier for the reactmn of H-with CH3F is 12. kJ/molc.
Using a pulse-radiolysis transient UV-VIS absorption system, rate constants for the reactions of F atoms with CH 3 CHO (1) and CH 3 CO radicals with O 2 (2) and NO (3) at 295 K and 1000 mbar total pressure of SF 6 was determined to be By monitoring the for-Ϫ12 Ϫ11 3 Ϫ1 Ϫ1 (4.4 Ϯ 0.7) ϫ 10 , and k ϭ