Vector Correlations and Product Rotational Alignments of Reactions Ca+RBr→CaBr+R (R=CH3, C2H5 and n-C3H7)
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 di?erent 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) atφr = 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.
|Citation:||Jian-jun Ma, Shu-lin Cong, Zhi-hong Zhang, Yan-qiu Wang. Vector Correlations and Product Rotational Alignments of Reactions Ca+RBr→CaBr+R (R=CH3, C2H5 and n-C3H7)[J]. Chinese Journal of Chemical Physics , 2006, 19(2): 117-122. doi: 10.1360/cjcp2006.19(2).117.6|