X. Zhuang, Ju‐Beom Song, Luyan Sun, Tiantian Wang, Xinguo Liu
{"title":"低碰撞能和同位素变化对Li+DF/TF→LiF+D/T反应立体动力学的影响","authors":"X. Zhuang, Ju‐Beom Song, Luyan Sun, Tiantian Wang, Xinguo Liu","doi":"10.4208/JAMS.101317.121217A","DOIUrl":null,"url":null,"abstract":"Stereodynamics for Li+DF/TF→LiF+D/T reactions are studied using the quasi-classical trajectory method based on a new potential energy surface constructed by Aguado and Paniaga [J. Chem. Phys. 119 (2003) 10088]. The product angular distributions of and , which reflect the vector correlation, are calculated and discussed. The average rotational alignment factor 〈 〉 as function of the collision energy is also presented. Furthermore, four polarization-dependent differential cross sections (PDDCSs), namely, PDDCS00, PDDCS20, PDDCS21and PDDCS22+ are calculated as well. By comparing the stereodynamics results of the title reactions, we find that the isotopic effects are relatively obvious.","PeriodicalId":15131,"journal":{"name":"Journal of Atomic and Molecular Sciences","volume":"32 1","pages":"117-121"},"PeriodicalIF":0.0000,"publicationDate":"2018-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Influences of the low collision energies and isotopic variants on the stereodynamics for reactions Li+DF/TF→LiF+D/T\",\"authors\":\"X. Zhuang, Ju‐Beom Song, Luyan Sun, Tiantian Wang, Xinguo Liu\",\"doi\":\"10.4208/JAMS.101317.121217A\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Stereodynamics for Li+DF/TF→LiF+D/T reactions are studied using the quasi-classical trajectory method based on a new potential energy surface constructed by Aguado and Paniaga [J. Chem. Phys. 119 (2003) 10088]. The product angular distributions of and , which reflect the vector correlation, are calculated and discussed. The average rotational alignment factor 〈 〉 as function of the collision energy is also presented. Furthermore, four polarization-dependent differential cross sections (PDDCSs), namely, PDDCS00, PDDCS20, PDDCS21and PDDCS22+ are calculated as well. By comparing the stereodynamics results of the title reactions, we find that the isotopic effects are relatively obvious.\",\"PeriodicalId\":15131,\"journal\":{\"name\":\"Journal of Atomic and Molecular Sciences\",\"volume\":\"32 1\",\"pages\":\"117-121\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2018-02-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Atomic and Molecular Sciences\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.4208/JAMS.101317.121217A\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Atomic and Molecular Sciences","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.4208/JAMS.101317.121217A","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Influences of the low collision energies and isotopic variants on the stereodynamics for reactions Li+DF/TF→LiF+D/T
Stereodynamics for Li+DF/TF→LiF+D/T reactions are studied using the quasi-classical trajectory method based on a new potential energy surface constructed by Aguado and Paniaga [J. Chem. Phys. 119 (2003) 10088]. The product angular distributions of and , which reflect the vector correlation, are calculated and discussed. The average rotational alignment factor 〈 〉 as function of the collision energy is also presented. Furthermore, four polarization-dependent differential cross sections (PDDCSs), namely, PDDCS00, PDDCS20, PDDCS21and PDDCS22+ are calculated as well. By comparing the stereodynamics results of the title reactions, we find that the isotopic effects are relatively obvious.