Theoretical Study of Reagent Rotational Excitation Effect on the Stereodynamics of H + LiF→HF+Li Reaction

Content Provider	Semantic Scholar
Author	Xie, Ting-Xian Zhang, Ying-Ying Shi, Ying Jin, Mingxing
Copyright Year	2014
Abstract	The reagent rotational excitation effect on the stereodynamics of H+LiF→HF+Li is calculated by means of the quasi-classical trajectory method on the Aguado-Paniagua2-potential energy surface (AP2-PES) constructed by Aguado et al. [J. Chem. Phys. 106, 1013 (1997)]. The angular distributions of vector correlations between products and reactants, P(θr) and P(ϕr) are presented. Meanwhile, the four polarization-dependent generalized differential cross sections are computed. The results indicate that the reagent rotational quantum numbers have impact on the vector properties of the title reaction. In addition, the reaction probability has been calculated as well.
Starting Page	39
Ending Page	44
Page Count	6
File Format	PDF HTM / HTML
DOI	10.1063/1674-0068/27/01/39-44
Volume Number	27
Alternate Webpage(s)	http://cjcp.ustc.edu.cn/hxwlxb_en/ch/reader/create_pdf.aspx?falg=1&file_no=130609152&quarter_id=1&year_id=2014
Alternate Webpage(s)	https://doi.org/10.1063/1674-0068%2F27%2F01%2F39-44
Language	English
Access Restriction	Open
Content Type	Text
Resource Type	Article