A THEORETICAL-STUDY OF PATHWAYS OF THE O+ REACTION WITH METHANE

Authors
LYUBIMOVA GV SHESTAKOV AF
Citation
Gv. Lyubimova et Af. Shestakov, A THEORETICAL-STUDY OF PATHWAYS OF THE O+ REACTION WITH METHANE, Kinetics and catalysis, 35(2), 1994, pp. 208-212
Citations number
15
Categorie Soggetti
Chemistry Physical
Journal title
Kinetics and catalysis → ACNP
ISSN journal
00231584
Volume
35
Issue
2
Year of publication
1994
Pages
208 - 212
Database
ISI
SICI code
0023-1584(1994)35:2<208:ATOPOT>2.0.ZU;2-6
Abstract
On the basis of ab initio quantum-chemical calculations, it is shown t hat interaction between the oxygen cation radical O+ and the methane m olecule can result, depending on their mutual arrangement, in the foll owing products: CH3O+ + H.; CH3+ + OH', or CH2O+ + H-2. Using the data obtained, the peculiarites of O+ transfer in the liquid phase are dis cussed.