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Ion-Pair Dissociation Dynamics of SO2 in the Photon Energy Range 14.87-15.15 eV
Liu, Kai1; Song, Di1; Kong, Fan-ao1; Li, Juan2,3; Mo, Yuxiang2,3
2010-09-23
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY A
ISSN1089-5639
Volume114Issue:37Pages:9999-10004
AbstractThe 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)),
DOI10.1021/jp105206q
Indexed BySCI
Language英语
WOS IDWOS:000281753800005
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/71042
Collection中国科学院化学研究所
Corresponding AuthorKong, Fan-ao
Affiliation1.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
GB/T 7714
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.
APA Liu, Kai,Song, Di,Kong, Fan-ao,Li, Juan,&Mo, Yuxiang.(2010).Ion-Pair Dissociation Dynamics of SO2 in the Photon Energy Range 14.87-15.15 eV.JOURNAL OF PHYSICAL CHEMISTRY A,114(37),9999-10004.
MLA Liu, Kai,et al."Ion-Pair Dissociation Dynamics of SO2 in the Photon Energy Range 14.87-15.15 eV".JOURNAL OF PHYSICAL CHEMISTRY A 114.37(2010):9999-10004.
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