Konstanz 1998 – scientific programme
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MO: Molekülphysik
MO 7: Poster: Cluster, Stoßprozesse
MO 7.27: Poster
Tuesday, March 17, 1998, 16:00–18:00, PF
Kinematical Transformation of Ba+CH3Br/HBr→BaBr+CH33/H within 0.01-3.0 eV — •Victor Wei-Keh WU1, Ke-Li HAN2, and Guo-Zhong HE2 — 1Victor Basic Research Laboratory,Bielefeld,FRG — 2SKLMRD, Dalian Institute of Chemical Physics, CAS. Dalian, 116023 P.R.China
H influences unimaginably strong that Migration contributes more predominantly than Stripping. Because an intermediate step is involved, it takes a certain time for the rearrangement (Migration) of the participating atoms as well as shift of scattering angles of BaBr into the region of 70o-90o. To explain the reactions with electron jump is suitable: Because the electronegativity of H (2.2) or C (2.5) is not very different from that of Br (2.7), the Ba atom (1.0) can be easily positively charged after loosing one electron to H or CH3 of CH3Br first during the approach, then positively charged Ba picks negatively charged Br up, after the negative charge has been transferred from H or CH3 to Br. Transfer of the negative charge from CH3 to Br and change of the attraction of Ba with CH3 into with Br is more quickly than what in Ba + HBr. Fraction of Stripping of BaBr in Ba + CH3Br is generally larger than Migration and BaBr are scattered at smaller angles ω. High v’BaBr can be induced efficiently by the attraction between Ba and Br with different charges after electron jump, transfer of negative charge and Migration of Ba. *Wu acknowledges the sponsorships by VBR(75%), DFG., and SKLMRD. Ref. 1. Chem.Lett., 309, 841 (1997), 2. Bull. Chem. Soc. Jpn. (Submitted)