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Photodissociation Dynamics of Alkyl Nitrites at 266 and 355 nm: The OH Product Channel
Yue, Xian-Fang; Sun, Ju-Long; Yin, Hong-Ming; Wei, Qiang; Han, Ke-Li; Han KL(韩克利)
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY A
2009-04-09
DOI10.1021/jp810731d
Volume113Issue:14Pages:3303-3310
Indexed BySCI
SubtypeArticle
Department11
Funding Project1101
Contribution Rank1;1
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Physics
WOS KeywordTERT-BUTYL NITRITE ; POTENTIAL-ENERGY SURFACES ; TRANS-METHYL NITRITE ; JET-COOLED METHYL ; MOLECULAR-BEAM ; S-2 STATE ; NO FRAGMENT ; LASER PHOTOLYSIS ; CH3ONO ; SPECTRA
AbstractPhotodissociation of methyl nitrite and n-butyl nitrite at 266 and 355 nm has been investigated in the gas phase at room temperature. OH photoproducts were observed, and their internal state distributions were measured by the one-photon laser-induced fluorescence (LIF) technique. It was found that the nascent OH from the 266 nm photolysis of methyl nitrite was vibrationally cold, and its rotational state distribution conformed to a Boltzmann behavior with a rotational temperature of T(rot) = 2200 +/- 150 K. In contrast, the nascent OH from the 266 nm photolysis of n-butyl nitrite was found to be vibrationally excited, and the measured relative population of upsilon '' = 0: 1 was 0.78: 0.22. The rotational state distribution of the OH upsilon '' = 1 state conformed to Boltzmann behavior, with a rotational temperature of T(rot) = 1462 +/- 120 K. However, a simple Boltzmann distribution was not found for the OH upsilon '' = 0 state. In the photolysis of n-butyl nitrite at 355 nm, the OH fragment was found to be vibrationally cold and its rotational state distribution showed non-Boltzmann behavior. A photodissociation mechanism involving an intramolecular hydrogen atom transfer process is proposed for the OH product pathway for methyl nitrite, which has been compared with the potential energy surfaces obtained from density functional theory (DFT) calculations. A photodissociation mechanism of n-butyl nitrite is also proposed for the OH product pathway, which differs from that of methyl nitrite due to the effects of the different alkoxy substituents.
Language英语
URL查看原文
WOS IDWOS:000264805500001
Citation statistics
Cited Times:11[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/101613
Collection中国科学院大连化学物理研究所
Corresponding AuthorHan KL(韩克利)
AffiliationChinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
Recommended Citation
GB/T 7714
Yue, Xian-Fang,Sun, Ju-Long,Yin, Hong-Ming,et al. Photodissociation Dynamics of Alkyl Nitrites at 266 and 355 nm: The OH Product Channel[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2009,113(14):3303-3310.
APA Yue, Xian-Fang,Sun, Ju-Long,Yin, Hong-Ming,Wei, Qiang,Han, Ke-Li,&韩克利.(2009).Photodissociation Dynamics of Alkyl Nitrites at 266 and 355 nm: The OH Product Channel.JOURNAL OF PHYSICAL CHEMISTRY A,113(14),3303-3310.
MLA Yue, Xian-Fang,et al."Photodissociation Dynamics of Alkyl Nitrites at 266 and 355 nm: The OH Product Channel".JOURNAL OF PHYSICAL CHEMISTRY A 113.14(2009):3303-3310.
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