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题名: Ion-Pair Dissociation Dynamics of SO2 in the Photon Energy Range 14.87-15.15 eV
作者: Liu, Kai1;  Song, Di1;  Kong, Fan-ao1;  Li, Juan2, 3;  Mo, Yuxiang2, 3
刊名: JOURNAL OF PHYSICAL CHEMISTRY A
发表日期: 2010-09-23
DOI: 10.1021/jp105206q
卷: 114, 期:37, 页:9999-10004
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: The ion-pair dissociation dynamics of SO2 -> SO+ (X-2 Pi,nu) + O- (2P(J)) in the excitation energy range 14.87-15.15 eV has been studied using the tunable XUV laser and velocity map imaging method. The O- yield spectrum, the translational energy distributions, and the angular distributions of the photofragments have been measured. The electronic structures and selected cuts of potential energy surfaces for the ion-pair states have been calculated by employing the quantum chemistry calculation method at the CASSCF/6-311++g** level. The equilibrium structures of the six ion-pair states all have linear geometries. An orbital correlation diagram was drawn to illustrate the ion-pair dissociation mechanism. Combining the experimental and theoretical results, it is concluded that the ion-pair dissociation takes place mainly via the predissociation of Rydberg states (1)A(1) [((CB1)-B-2)4db(1)] and (1)A(1) [(D(2)A(1))4sa(1)]. The experimental results confirm the previous theoretical calculation results about the symmetry assignments for the energy sequence of SO2+ as C(B-2(1)) < D((2)A(1)),
关键词[WOS]: MAP IMAGING METHOD ;  SULFUR-DIOXIDE ;  PHOTOELECTRON ;  PHOTODISSOCIATION ;  STATES ;  SPECTROSCOPY ;  ULTRAVIOLET ;  CL-2
语种: 英语
WOS记录号: WOS:000281753800005
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142220
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, Inst Chem, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China
2.Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China
3.Tsinghua Univ, Key Lab Atom & Mol Nanosci, Beijing 100084, Peoples R China

Recommended Citation:
Liu, Kai,Song, Di,Kong, Fan-ao,et al. Ion-Pair Dissociation Dynamics of SO2 in the Photon Energy Range 14.87-15.15 eV[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2010,114(37):9999-10004.
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