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题名: Experimental and theoretical studies of the reactions of excited calcium atoms with ethyl and n-propyl bromides
作者: Han, KL;  Zhang, L;  Xu, DL;  He, GZ;  Lou, NQ
刊名: JOURNAL OF PHYSICAL CHEMISTRY A
发表日期: 2001-04-05
DOI: 10.1021/jp002181x
卷: 105, 期:13, 页:2956-2960
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: To study the effect of the orbital alignment of Ca(P-1(1)) on the product alignment, we have probed the CaBr-(B(2)Sigma (+)) product rotational alignments in the reactions of Ca(P-1(1)) with C2H5Br and n-C3H7Br by means of laser-induced chemiluminescence under single-collision conditions in a beam-gas arrangement. When the laser polarization vector is parallel to the Ca beam for the reaction Ca(P-1(1)) + C2H5Br, the rotation of the CaBr(B(2)Sigma (+)) product seems to be more strongly aligned in comparison with that when the laser polarization vector is perpendicular to the Ca beam but when there is significant overlapping of error bars. However, for the reaction Ca(P-1(1)) + n-C3H7Br, there is no statistical difference in the product rotational alignment when the Ca(P-1(1)) atomic orbital alignment is changed. The values of [P2((J) over cap .(k) over cap)] become less negative as the number of carbons is increased, which is probably attributed to the differences in the mass factors and potential energy surfaces. Quasiclassical trajectory (QCT) based on a LEPS potential energy surface (PES) has been employed to interpret the experimental results.
关键词[WOS]: LASER-INDUCED FLUORESCENCE ;  ROTATIONAL ALIGNMENT ;  CHEMILUMINESCENT REACTION ;  PRODUCT POLARIZATION ;  OPTICAL PREPARATION ;  REACTION DYNAMICS ;  ALIGNED REAGENTS ;  HCL ;  BA ;  MOLECULES
语种: 英语
WOS记录号: WOS:000167927900006
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/138826
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
Han, KL,Zhang, L,Xu, DL,et al. Experimental and theoretical studies of the reactions of excited calcium atoms with ethyl and n-propyl bromides[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2001,105(13):2956-2960.
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