Isotopic branching: Experiment versus theory for He+HD+ collisions

✍ Scribed by K.C. Bhalla; N. Sathyamurthy

• Publisher: Elsevier Science
• Year: 1989
• Tongue: English
• Weight: 389 KB
• Volume: 160
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(89)87623-7

✦ Synopsis

Using an accurate ab initio potential energy surface and three-dimensional quasiclassical trajectory collisions, we have investigated the effect of reagent translation and vibration on the cross section for the two isotopically distinct channels of the exchange reaction He+HD++HeH+D;

HeD++H and also on the isotopic branching ratio. While some aspects ofour results are in qualitative agreement with the experimental data, there are some serious discrepancies between theory and experiment for the branching ratio