Please use this identifier to cite or link to this item:
http://nopr.niscpr.res.in/handle/123456789/15895| Title: | Theoretical study of the stereodynamics of the reaction Ne+HD+ → NeH++D |
| Authors: | Wang, Y-L Su, D-Z Wang, K |
| Keywords: | Theoretical chemistry;Stereodynamics;Quasi-classical trajectory;Time-dependent wave packet;Ne+HD+ reaction;Vector correlations |
| Issue Date: | Feb-2013 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | Based on the adiabatic potential energy surface of the ground
state 12A′ constructed by Lv et al. [J Chem Phys,
132 (2010) 014303], the influence of collision energy and reagent vibrational
excitation on product polarization for
the reaction Ne+HD+(v,0) →
NeH++D are studied. The reaction probabilities of the title reaction
have been revealed by
time-dependent wave packet and quasi-classical trajectory approaches. The four
generalized polarization dependent differential
cross-sections have been calculated in the center of mass
frame. The P(θ ), P(φ) and P(θ,φ)
distributions, k-kʹ-jʹ correlation and the angular
distribution of product rotational vectors are
presented in
the form of polar plots. The results indicate that both the orientation and the
alignment of the rotational angular moment are impacted by initial vibrational
number, v, and collision energy.
|
| Page(s): | 177-183 |
| ISSN: | 0975-0975(Online); 0376-4710(Print) |
| Appears in Collections: | IJC-A Vol.52A(02) [February 2013] |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJCA 52A(2) 177-183.pdf | 533.79 kB | Adobe PDF | View/Open |
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