A THREE-DIMENSIONAL QUANTUM MECHANICAL STUDY OF THE H+H2+-]H-2+H+ SYSTEM - COMPETITION BETWEEN CHEMICAL EXCHANGE AND INELASTIC PROCESSES

摘要

In this publication is presented a three-dimensional quantum mechanical study, within the coupled stares approximation, of the process H+H-2(+)(upsilon(1)=0,j(1))-->H++H-2. Both reactive (exchange) and inelastic processes were considered. The main findings are: (a) The charge transfer process takes place at large distances (similar to 3.5 Angstrom) and so the reagents are essentially on the lower potential energy surface when they approach the close interaction region; (b) The main contributions to the reaction (exchange) are from large impact parameters; (c) The initial rotational states have at most a minor effect on the results (whether being charge transfer or chemical exchange); (d) The deep potential well in the interaction region of the lower surface has only a secondary effect on the results. (C) 1997 American Institute of Physics. [References: 52]