Volume 6, Issue 4
The effects of collision energy and isotope onstereodynamics for the reactions O ++H 2/D 2/T 2

Yanjie Wang, Xinguo Liu, Hongzheng Li, Qi Li, Jiawu Chen & Qinggang Zhang

J. At. Mol. Sci., 6 (2015), pp. 254-262.

Published online: 2015-06

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  • Abstract

The vector correlations between products and reagents for the chemical reactions O^++H_2/D_2/T_2 at different collision energies (1.0eV-2.8eV) have been studied by means of the quasi-classical trajectory (QCT) method based on the RODRIGO potential energy surface(PES) [Rodrigo et al 2004 J. Chem. Phys. 120 4705]. The four generalized polarization-dependent differential cross-sections (PDDCSs) (2\pi/σ)(dσ_{00}/dωt), (2\pi/σ)(dσ_{20}/dωt), (2\pi/σ)(dσ_{22+}/dωt) and (2\pi/σ)(dσ_{21-}/dωt) have also been calculated at seven different collision energies respectively. The isotope effect comparing with the effect of collision energies has been discussed further. The results indicate that the reaction is sensitive to the mass factors. Meanwhile the collision energies have a greater effect than the mass factors.

  • Keywords

Stereodynamics Vector correlation Quasi-classical trajectory method Polarizationdependent differential cross-section Isotope effect

  • AMS Subject Headings

  • Copyright

COPYRIGHT: © Global Science Press

  • Email address

liuxinguo@sdnu.edu.cn (Xinguo Liu)

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@Article{JAMS-6-254, author = {Wang , Yanjie and Liu , Xinguo and Li , Hongzheng and Li , Qi and Chen , Jiawu and Zhang , Qinggang }, title = {The effects of collision energy and isotope onstereodynamics for the reactions O ++H 2/D 2/T 2}, journal = {Journal of Atomic and Molecular Sciences}, year = {2015}, volume = {6}, number = {4}, pages = {254--262}, abstract = {The vector correlations between products and reagents for the chemical reactions O^++H_2/D_2/T_2 at different collision energies (1.0eV-2.8eV) have been studied by means of the quasi-classical trajectory (QCT) method based on the RODRIGO potential energy surface(PES) [Rodrigo et al 2004 J. Chem. Phys. 120 4705]. The four generalized polarization-dependent differential cross-sections (PDDCSs) (2\pi/σ)(dσ_{00}/dωt), (2\pi/σ)(dσ_{20}/dωt), (2\pi/σ)(dσ_{22+}/dωt) and (2\pi/σ)(dσ_{21-}/dωt) have also been calculated at seven different collision energies respectively. The isotope effect comparing with the effect of collision energies has been discussed further. The results indicate that the reaction is sensitive to the mass factors. Meanwhile the collision energies have a greater effect than the mass factors.}, issn = {2079-7346}, doi = {https://doi.org/10.4208/jams.091815.102515a}, url = {http://global-sci.org/intro/article_detail/jams/8280.html} }
TY - JOUR T1 - The effects of collision energy and isotope onstereodynamics for the reactions O ++H 2/D 2/T 2 AU - Wang , Yanjie AU - Liu , Xinguo AU - Li , Hongzheng AU - Li , Qi AU - Chen , Jiawu AU - Zhang , Qinggang JO - Journal of Atomic and Molecular Sciences VL - 4 SP - 254 EP - 262 PY - 2015 DA - 2015/06 SN - 6 DO - http://dor.org/10.4208/jams.091815.102515a UR - https://global-sci.org/intro/jams/8280.html KW - Stereodynamics KW - Vector correlation KW - Quasi-classical trajectory method KW - Polarizationdependent differential cross-section KW - Isotope effect AB - The vector correlations between products and reagents for the chemical reactions O^++H_2/D_2/T_2 at different collision energies (1.0eV-2.8eV) have been studied by means of the quasi-classical trajectory (QCT) method based on the RODRIGO potential energy surface(PES) [Rodrigo et al 2004 J. Chem. Phys. 120 4705]. The four generalized polarization-dependent differential cross-sections (PDDCSs) (2\pi/σ)(dσ_{00}/dωt), (2\pi/σ)(dσ_{20}/dωt), (2\pi/σ)(dσ_{22+}/dωt) and (2\pi/σ)(dσ_{21-}/dωt) have also been calculated at seven different collision energies respectively. The isotope effect comparing with the effect of collision energies has been discussed further. The results indicate that the reaction is sensitive to the mass factors. Meanwhile the collision energies have a greater effect than the mass factors.
Yanjie Wang , Xinguo Liu , Hongzheng Li , Qi Li, Jiawu Chen & Qinggang Zhang . (2019). The effects of collision energy and isotope onstereodynamics for the reactions O ++H 2/D 2/T 2. Journal of Atomic and Molecular Sciences. 6 (4). 254-262. doi:10.4208/jams.091815.102515a
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