Mainz 1997 – scientific programme
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MO: Molekülphysik
MO 9: Poster II: Spektroskopie, Stöße, Theorie
MO 9.25: Poster
Tuesday, March 4, 1997, 18:00–20:00, Poster
Migration, Stripping and Harpooning — •Victor Wei-Keh Wu1,2, Ke-Li Han1, and Guo-Zhong He1 — 1SKLMRD, POBOX 110-11, DaLian, PRChina — 2VictorBasicResearchLaboratory, K.-Schumacher-Str.12, D-33615 Bielefeld, FRG.
The rot. periods of the reacting atoms of Ba+HBr/CH3Br → BaBr+H/CH3 are shorter than one. BaBr of both are scattered forwards. The mechanisms are contributed by Migration and Stripping mixed with the eletron jump (Harpoon). Comparing the exp. the QCT results compensate and contribute the explanations of the mechanisms of the reaction dynmaics very well and much. Because Ba+HBr/CH3Br at Erel=3.0 and 0.01eV are via nearly pure Migration and Stripping respectively, we have investigated the distances of the reaction pairs against the reaction time to see the routes during the approaches betw. the partners at these Erel. The interaction times of Ba+HBr/CH3Br are at ca.18.2∼20.8ps/206∼237ps. The respective rcritical of the interaction zones are ca.3.4/6.2Å. Although H is much smaller than Br or CH3, it is clear that at Erel≈3.0eV Br of HBr will be migrated to Ba and scattered as BaBr after H of HBr comes to Ba first, comparing that CH3 of CH3Br shows its negligible effect of Migration at Erel=0.01eV.Electronegativity (Ba=1.0,Br=2.7,C=2.5,H=2.2) and collisional energy play the key roles to the transform. mechanisms. The highly vib.BaBr can be induced more efficiently by the electron jump than by the impulsive collsion after Migration,e.g.Ba+CH3Br./*/Spons.byCAS, VBR &DFG.