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CP: Chemische Physik

CP 16: Poster zur Sitzung CP6

CP 16.2: Poster

Tuesday, March 18, 1997, 18:30–21:15, FBH

Compare Ba+CH₃Br/HBr(v_i:0,j_i:0)→BaBr(v_f,j_f)+CH₃/H in 0.01≤E_rel≤3.0eV — •VictorWeiKeh WU — VictorWeiKeh WU*,KeLi HAN and GuoZhong HE,SKLMRD,DaLian Inst.Chem.Phys.
CAS.DaLian,PRChina/*VBRLaboratory,Bielefeld,FRG.Telefax:0049-(0)521-160395

The mean scattering angles <ω> of BaBr of Ba+CH₃Br/HBr are located in 46.6^o(1.0eV) ∼60.9^o(3.0eV) and 90^o(0.01eV)∼60.8^o(0.3eV); F_t are 0.26(0.03eV)∼0.49(1.0eV) and 0.5 (0.01eV)∼0.1(3.0eV); F_v are 0.66(0.01eV)∼0.145(1.0eV) and 0.315(0.3eV)∼0.5(0.01eV); F_r are 0.065(0.01eV)∼0.43(3.0eV) and 0.003(0.01eV)∼0.5(3.0eV) respectively. The 3 dimens. plots of Nr(b∣E_rel) (No.of reactive trajectories at b and E_rel)-b-E_rel, Nr(v_f∣E_rel)-v_f(BaBr)-E_rel, <j_f(BaBr)>(mean rot.level)-v_f(BaBr)-E_rel, <ω>-υ_max(BaBr)-E_rel and Nr (b,ω)-ω-b at E_rel=0.01-3.0 eV show that both reactions run rather different: Migration and Stripping are mixed, via which BaBr are scattered at (70^o-90^o and 25^o-65^o respectively. Only 20-30% of Ba+CH₃Br run via Migration, on the contrary ca.10-30% of Ba+HBr via Stripping and only within 0.05≤E_rel≤1.0eV. Although H is much smaller than Br or CH₃, it influences unimaginably strongly that the Migration also contributes and more predominantly than Stripping within E_th≤0.01≤E_rel≤0.5eV. The very strong migration effect of Ba+HBr through only a little ΔD_o^o (=0.032eV comparing 0.651eV for Ba+CH₃Br) causes also abnormally high vib.levels(v_f≈4 comparing v_f≈30 for Ba+CH₃Br at E_rel=0.01eV) and vib.distr.of BaBr. /*/Spons.by CAS, VBR & DFG.