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Acid-catalyzed hydrogenation of olefins. A theoretical study of the hydrogen fluoride and H3O+ catalyzed hydrogenation of ethylene

✍ Scribed by Siria, Juan Carlos; Duran, Miquel; Lledos, Agusti; Bertran, Juan

Book ID
127155373
Publisher
American Chemical Society
Year
1987
Tongue
English
Weight
893 KB
Volume
109
Category
Article
ISSN
0002-7863

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Loss of hydrogen fluoride from C2H2F3O+.
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✍ PΓ©ter VΓ‘rnai; LΓ‘szlΓ³ NyulΓ‘szi; TamΓ‘s VeszpreαΈΏi; KΓ‘roly VΓ©key πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 581 KB

The hydrogen fluoride loss reaction channels from C,H,F,O+ have been studied by ab initio quantum chemical means at the MP2/6-31G \* //HF/6-31G \* + ZPE level of theory. The composite metastable peak observed in the mass spectrum has been explained by two reaction channels, having nearly equal activ