Stereodynamics of the reactions Ne+H2+ /Ne+D2+/Ne+T2

doi:10.1088/1674-1056/21/4/043101

Abstract The vector correlations between products and reagents for the reactions Ne+H$_{2}^{ + }$, Ne+D$_{2}^{ + }$, and Ne+T$_{2}^{ + }$ are calculated by means of the quasi-classical trajectory method on a new potential energy surface constructed by Lü et al. [J. Chem. Phys. 2010 132, 014303]. The polarization-dependent differential cross-sections ($2\pi /\sigma )({\rm d}\sigma _{00}/{\rm d}\omega _{t})$, ($2\pi /\sigma )({\rm d}\sigma _{20}/{\rm d}\omega _{t})$, ($2\pi /\sigma )({\rm d}\sigma_{22+} /{\rm d}\omega _{t})$, and ($2\pi /\sigma )({\rm d}\sigma _{21 - }/{\rm d}\omega _{t})$, and the distributions of $P(\theta _r)$, $P(\phi _r )$, and $P(\theta _r$, $\phi _r)$ are calculated. The isotopic effect, which is associated with the difference in mass factor among the three reactions, is revealed.

Keywords: stereodynamics quasi-classical trajectory isotoπc effect vector correlation

Received: 01 November 2010
Revised: 11 October 2011
Accepted manuscript online:

PACS:	31.15.ap	(Polarizabilities and other atomic and molecular properties)
	34.50.Lf	(Chemical reactions)
	31.15.xv	(Molecular dynamics and other numerical methods)

Fund: Project supported by the National Natural Science Foundation of China(Grant Nos.NSFC-11174117 and NSFC-10974078)

Corresponding Authors: Yang Chuan-Lu, E-mail:yangchuanlu@263.net
E-mail: yangchuanlu@263.net

Cite this article:

Xiao Jing(肖静), Yang Chuan-Lu(杨传路), and Wang Mei-Shan(王美山) Stereodynamics of the reactions Ne+H₂⁺ /Ne+D₂⁺/Ne+T₂ 2012 Chin. Phys. B 21 043101

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Stereodynamics of the reactions Ne+H2+ /Ne+D2+/Ne+T2

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Stereodynamics of the reactions Ne+H₂⁺ /Ne+D₂⁺/Ne+T₂