REACTION DYNAMICS OF BA+CH3BR HBR-]BABR+CH3 H

Authors
Citation
Vwk. Wu et al., REACTION DYNAMICS OF BA+CH3BR HBR-]BABR+CH3 H, Chemistry Letters, (9), 1997, pp. 841-842
Citations number
28
Categorie Soggetti
Chemistry
Journal title
ISSN journal
03667022
Issue
9
Year of publication
1997
Pages
841 - 842
Database
ISI
SICI code
0366-7022(1997):9<841:RDOBHH>2.0.ZU;2-K
Abstract
QCT calculations for reactions Ba+CH3Br and Ba+HBr on LEPS surfaces wi thin 0.01 less than or equal to E-rel less than or equal to 3.0 eV by comparison with available experimental data within 0.075 less than or equal to E-rel less than or equal to 2.31 eV have been done. The react ion dynamics of both chemical reactions have been obtained and their m echanisms have been deduced. The difference of the reaction dynamics v ia stripping and migration have been graphically described. The H atom of HBr shows enormous contribution of migration in the reaction of Ba +HBr, though the volume of H is comparably much smaller.