Theoretical study of the stereodynamics of the reactions of D-+H-2 -> H-+HD and H-+D-2 -> D-+HD
文献类型：期刊论文
| 作者 | Li, Wen Liang; Wang, Mei Shan; Yang, Chuanlu; Liu, Wenwang; Sun, Chao; Ren, Tingqi |
| 刊名 | chemical physics
 |
| 出版日期 | 2007-08-16 |
| 卷号 | 337期号:1-3页码:93-98 |
| 关键词 | stereodynamics of the reaction quasi-classical trajectory theory differential cross-section vector relation |
| 英文摘要 | the product rotational polarization of the ion-molecule reactions of d- + h-2 -> h- + hd and h- + d-2 -> d- + hd has been calculated by means of the quasi-classical trajectory method on a potential energy surface (pes) constructed by panda and sathyamurthy [j. chem. phys. 121, 9343 (2004)]. comparing the dynamics of d- + h-2 -> h- + hd with h- + d-2 -> d- + hd, four polarization dependent generalized differential cross-sections (2 pi/sigma)(d sigma(00)/d omega(t)), (2 pi/sigma)(d sigma(20)/d omega(t)), (2 pi/sigma)(d sigma(22+)/d omega(t)), (2 pi/sigma)(d sigma(21-)/d omega(t)) have been presented in the center of mass frame, respectively. the distribution of dihedral angle p(phi(r)), the distribution of angle between k and j ', p(theta(r)), and the angular distribution of product rotational vectors in the form of polar plots in theta(r) and phi(r) are calculated as well. a pronounced isotopic effect is also revealed. it may be ascribed to the significant difference of the effective potential barrier height or the difference of the mass factor in the two reactions. (c) 2007 elsevier b.v. all rights reserved. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, physical ; physics, atomic, molecular & chemical |
| 研究领域[WOS] | chemistry ; physics |
| 关键词[WOS] | product rotational polarization ; dependent wave-packet ; initiated bimolecular reactions ; differential cross-sections ; potential-energy surfaces ; chemical-reactions ; isotopic variants ; quantum dynamics ; collisions ; scattering |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000249632400010 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/140548]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.LuDong Univ, Dept Phys, Yantai 264025, Shandong Prov, Peoples R China 2.Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li, Wen Liang,Wang, Mei Shan,Yang, Chuanlu,et al. Theoretical study of the stereodynamics of the reactions of D-+H-2 -> H-+HD and H-+D-2 -> D-+HD[J]. chemical physics,2007,337(1-3):93-98. |
| APA | Li, Wen Liang,Wang, Mei Shan,Yang, Chuanlu,Liu, Wenwang,Sun, Chao,&Ren, Tingqi.(2007).Theoretical study of the stereodynamics of the reactions of D-+H-2 -> H-+HD and H-+D-2 -> D-+HD.chemical physics,337(1-3),93-98. |
| MLA | Li, Wen Liang,et al."Theoretical study of the stereodynamics of the reactions of D-+H-2 -> H-+HD and H-+D-2 -> D-+HD".chemical physics 337.1-3(2007):93-98. |
入库方式： OAI收割
来源：大连化学物理研究所
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