Stereodynamics of the reaction He+H-2(+)-> HeH++H: a theoretical study

作者：Chen, Tianyun; Zhao, Ningjiu; Zhang, Weiping^*; Wang, Xinqiang

来源：Central European Journal of Physics, 2011, 9(5): 1221-1227.

DOI：10.2478/s11534-011-0015-6

• quasiclassical trajectory
• stereodynamics
• alignment and orientation

Quasiclassical trajectory method for the title reaction He +H (2) (+) -> HeH+ + H was carried out on the potential energy surface which was revised by Aquilanti et al. [Chem. Phys. Lett. 469, 26 (2009)]. The initial vibrational quantum number of reactant was set as v=1, v=2 and v=3. Stereodynamics information of the reaction was obtained, such as the distributions of product angular momentum P(theta (r) ), P(I center dot (r) ),p(I center dot (r) , theta (r) ) and the two commonly used polarization-dependent differential cross sections (PDDCSs) (2 pi/sigma)(d sigma (00)/d omega (t) ) and (2 pi/sigma)(d sigma (20)/d omega (t) ), to get the alignment and orientation of product molecules. The results show that the influence of both the collision energy and vibrational quantum number (v) to the reaction are highly sensitive.

• 出版日期2011-10
• 单位重庆大学; 大连理工大学; 河北科技师范学院