Stuttgart 2012 – wissenschaftliches Programm
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MO: Fachverband Molekülphysik
MO 16: Collisions and Spectroscopy in He-Droplets
MO 16.2: Vortrag
Donnerstag, 15. März 2012, 10:45–11:00, V38.02
Rotational Angular Momentum Polarisation of HF in H+FCl(v=0-5, j=0-9)→HF+Cl at 0.5-20 kcal/mol — •Victor Wei-Keh Wu — Group 1101, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 116023 Dalian, PRChina — Department of Chemical and Materials Engineering, National Kaohsiung University of Applied Sciences, 80782 Kaohsiung, Taiwan — Victor Basic Research Laboratory e. V. Gadderbaumer-Str. 22, D-33602 Bielefeld, Germany
Using QCT-PDDCS method, product alignment and orientation on PES of 1 2A’ have been studied. HF alignment is found to be, (a) weaker at all collision energies, (b) vibrationally enhanced by the reactant FCl, but for case (c), rather insensitive to initially rotational excitation. The rot. vector of HF orientation pointing to either negative or positive direction of the y-axis in the c.m. frame, e.g. origin of the coordinate system, is enhanced by collision energies, while it becomes weaker at higher vib. (v = 0-5) or rot. (j = 0, 3, 6, 9) excitation levels. Effects of collision energies and of rot. excitation with 15 kcal/mol on the calculated PDDCSs are also shown and discussed. p(ϕr) in the range of 0≤ϕr≤360o, and p(ϑr,ϕr) of 0≤ϑr≤180o and 0≤ϕr≤360o at 0.5-20 kcal/mol have been presented. Results of PDDCSs of the HF alignment and orientation at these collision energies are not very strongly distinguishable. QCT-PDDCS code from K-L Han, Group 1101 of DICP, and financial aids by VBR in Bielefeld, Germany are acknowledged. Ref. 1. V.W.-K.Wu, M.-Y.Chung, and F.Kure(Ko), JMS. 983 (2010) 1; 2. V.W.-K.Wu, PCCP. 13 (2011) 9407.