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Nonadiabatic dissociation dynamics in H2O: Competition between rotationally and nonrotationally mediated pathways
Yuan, Kaijun1; Cheng, Yuan1; Cheng, Lina1; Guo, Qing1; Dai, Dongxu1; Wang, Xiuyan1; Yang, Xueming1; Dixon, Richard N.2
KeywordPhotochemistry Water Photodissociation Stereodynamics Vuv Photolysis
Source PublicationPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
2008-12-09
DOI10.1073/pnas.0807719105
Volume105Issue:49Pages:19148-19153
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology
WOS SubjectMultidisciplinary Sciences
WOS Research AreaScience & Technology - Other Topics
WOS KeywordMULTIPHOTON IONIZATION SPECTROSCOPY ; OH PROMPT EMISSION ; PHOTODISSOCIATION DYNAMICS ; MOLECULAR PREDISSOCIATION ; 2 COMETS ; WATER ; NM ; STATES ; JET ; D2O
AbstractThe photochemistry of H2O in the VUV region is important in interstellar chemistry. Whereas previous studies of the photodissociation used excitation via unbound states, we have used a tunable VUV photolysis source to excite individual levels of the rotationally structured (C) over tilde state near 124 nm. The ensuing OH product state distributions were recorded by using the H-atom Rydberg tagging technique. Experimental results indicate a dramatic variation in the OH product state distributions and its stereodynamics for different resonant states. Photodissociation of H2O((C) over tilde) in rotational states with k(a)' = 0 occurs exclusively through a newly discovered homogeneous coupling to the (A) over tilde state, leading to OH products that are vibrationally hot (up to v = 13), but rotationally cold. In contrast, for H2O in rotationally excited states with k(a)' > 0, an additional pathway opens through Coriolis-type coupling to the (B) over tilde state surface. This yields extremely rotationally hot and vibrationally cold ground state OH(X) and electronically excited OH(A) products, through 2 different mechanisms. In the case of excitation via the 1(10) <- 0(00) transition the H atoms for these 2 product channels are ejected in completely different directions. Quantum dynamical models for the (C) over tilde -state photodissociation clearly support this remarkable dynamical picture, providing a uniquely detailed illustration of nonadiabatic dynamics involving at least 4 electronic surfaces.
Language英语
WOS IDWOS:000261706600025
Citation statistics
Cited Times:39[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/141116
Collection中国科学院大连化学物理研究所
Affiliation1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Univ Bristol, Sch Chem, Bristol BS8 1TS, Avon, England
Recommended Citation
GB/T 7714
Yuan, Kaijun,Cheng, Yuan,Cheng, Lina,et al. Nonadiabatic dissociation dynamics in H2O: Competition between rotationally and nonrotationally mediated pathways[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,2008,105(49):19148-19153.
APA Yuan, Kaijun.,Cheng, Yuan.,Cheng, Lina.,Guo, Qing.,Dai, Dongxu.,...&Dixon, Richard N..(2008).Nonadiabatic dissociation dynamics in H2O: Competition between rotationally and nonrotationally mediated pathways.PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,105(49),19148-19153.
MLA Yuan, Kaijun,et al."Nonadiabatic dissociation dynamics in H2O: Competition between rotationally and nonrotationally mediated pathways".PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 105.49(2008):19148-19153.
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