Vector Correlations And Product Rotational Alignments Of Reactions ...

Skip to contentChinese Journal of Chemical PhysicsVector Correlations and Product Rotational Alignments of Reactions Ca+RBr→CaBr+R (R=CH3, C2H5 and n-C3H7)

Jian-jun Ma, Shu-lin Cong, Zhi-hong Zhang and Yan-qiu Wang

Published under licence by IOP Publishing Ltd Chinese Journal of Chemical Physics, Volume 19, Number 2Citation Jian-jun Ma et al 2006 Chin. J. Chem. Phys. 19 117DOI 10.1360/cjcp2006.19(2).117.6

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Jian-jun Ma

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Department of Physics, Dalian University of Technology, Dalian 116024, China

Shu-lin Cong

AFFILIATIONS

Department of Physics, Dalian University of Technology, Dalian 116024, China

Zhi-hong Zhang

AFFILIATIONS

Department of Physics, Dalian University of Technology, Dalian 116024, China

Yan-qiu Wang

AFFILIATIONS

Department of Physics, Dalian University of Technology, Dalian 116024, China

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Open scienceAuthors

Jian-jun Ma

AFFILIATIONS

Department of Physics, Dalian University of Technology, Dalian 116024, China

Shu-lin Cong

AFFILIATIONS

Department of Physics, Dalian University of Technology, Dalian 116024, China

Zhi-hong Zhang

AFFILIATIONS

Department of Physics, Dalian University of Technology, Dalian 116024, China

Yan-qiu Wang

AFFILIATIONS

Department of Physics, Dalian University of Technology, Dalian 116024, China

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Dates

1. Received 3 February 2005
2. Accepted 30 April 2005

1003-7713/19/2/117

Abstract

The quasiclassical trajectory method is used to study the vector correlations of the reactions Ca+RBr (R=CH3, C2H5 and n-C3H7Br) and the rotational alignment of product CaBr. The product rotational alignment parameters at different collision energies and the vector correlations between the reagent and product are numerically calculated. The vector correlations are described by using the angle distribution functions P(θr), P(ϕr), P(θr, ϕr) and the polarization-dependent differential cross sections (PDDCSs). The peak values of P(θr) of the product CaBr from Ca+CH3Br are larger than those from Ca+C2H5Br and Ca+n-C3H7Br. The peak of P(θr) at ϕr = 3π/2 is apparently stronger than that at ϕr= π/2 for the three reactions Ca+RBr. The calculation results show that the rotational angular momentum of the product CaBr is not only aligned, but also oriented along the direction which is perpendicular to the scattering plane. The product CaBr molecules are strongly scattered forward. The orientation and alignment of the product angular momentum will affect the scattering direction of the product molecules to varying degrees.

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