Theoretical Study of the Reagent Rotational Excitation Dependence for the Reactions Li + TF (v=0, j=0-5) → LiF + T

Xian Fang Yue

doi:10.4028/www.scientific.net/AMR.1033-1034.505

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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 1033-1034Theoretical Study of the Reagent Rotational...

Theoretical Study of the Reagent Rotational Excitation Dependence for the Reactions Li + TF (v=0, j=0-5) → LiF + T

Abstract:

A quasiclassical trajectory calculation is carried out to investigate the effect of reagent rotational excitation on product rotational polarization in the reactions Li + TF(v=0, j=0-5) → LiF + T. It is found that the reagent rotational excitation slightly effect the product rotational alignment. However, the product rotational orientation becomes stronger and stronger with the increase of the reagent rotational quantum number from j=0 to j=5. The reaction mechanism for the title reactions changes from direct for j=0-1 to indirect for j=2-5.

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Periodical:

Advanced Materials Research (Volumes 1033-1034)

Pages:

505-508

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.1033-1034.505

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Online since:

October 2014

Authors:

Xian Fang Yue*

Keywords:

Alignment, Orientation, Quasiclassical Trajectory, Rotational Excitation

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