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题名: Photo-induced reactions in the ion-molecule complex Mg+-OCNC2H5
作者: Sun, JL;  Liu, HC;  Han, KL;  Yang, SH
刊名: JOURNAL OF CHEMICAL PHYSICS
发表日期: 2003-06-15
DOI: 10.1063/1.1569912
卷: 118, 期:23, 页:10455-10460
收录类别: SCI
文章类型: Article
部门归属: 1101
项目归属: 1101
产权排名: 2;1
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
英文摘要: Ion - molecule complexes of magnesium cation with ethyl isocyanate were produced in a laser- ablation supersonic expansion nozzle source. Photo- induced reactions in the 1: 1 complexes have been studied in the spectral range of 230 - 410 nm. Photodissociation mass spectrometry revealed the persistent product Mg+ from nonreactive quenching throughout the entire wavelength range. As for the reactive channels, the photoproducts, Mg+OCN and C2H5+, were produced only in the blue absorption band of the complex with low yields. The action spectrum of Mg+(OCNC2H5) consists of two pronounced peaks on the red and blue sides of the Mg+ 3(2)P <-- 3(2)S atomic transition. The ground state geometry of Mg+ - OCNC2H5 was fully optimized at B3LYP/6- 31 - G** level by using GAUSSIAN 98 package. The calculated absorption spectrum of the complex using the optimized structure of its ground state agrees well with the observed action spectrum. Photofragment branching fractions of the products are almost independent of the photolysis photon energy for the 3P(x,y,z) excitations. The very low branching ratio of reactive products to nonreactive fragment suggests that evaporation is the main relaxation pathway in the photo- induced reactions of Mg+ (OCNC2H5). (C) 2003 American Institute of Physics.
关键词[WOS]: PHOTODISSOCIATION SPECTROSCOPY ;  GAS-PHASE ;  PHOTOINDUCED REACTIONS ;  BINDING-ENERGIES ;  ETHYL ISOCYANATE ;  ELECTRONIC-STATE ;  CARBON-MONOXIDE ;  AB-INITIO ;  MG+ ;  DYNAMICS
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000183124300011
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/83105
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.Hong Kong Univ Sci & Technol, Dept Chem, Kowloon, Hong Kong, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
Sun, JL,Liu, HC,Han, KL,et al. Photo-induced reactions in the ion-molecule complex Mg+-OCNC2H5[J]. JOURNAL OF CHEMICAL PHYSICS,2003,118(23):10455-10460.
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