MINDO forces study of the uncatalysed and acid-catalysed Friedel-Crafts reactions between CH3F and CH4

Authors
Abed, AG Khalil, SM
Citation
Ag. Abed et Sm. Khalil, MINDO forces study of the uncatalysed and acid-catalysed Friedel-Crafts reactions between CH3F and CH4, Z NATURFO A, 54(3-4), 1999, pp. 251-255
Citations number
26
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
ISSN journal
09320784 → ACNP
Volume
54
Issue
3-4
Year of publication
1999
Pages
251 - 255
Database
ISI
SICI code
0932-0784(199903/04)54:3-4<251:MFSOTU>2.0.ZU;2-O
Abstract
MINDO-forces calculations have been performed on the uncatalysed and acid-c atalysed Friedel-Crafts reaction between CH3F and CH4. It has been found th at the catalysed reaction is exothermic, spontaneous and has a smaller pote ntial-energy barrier than the uncatalysed reaction. The mechanisms for unca talysed and catalysed reactions are discussed.