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题名: Proton transfer in 1,4-dioxane/ammonia hydrogen bond clusters
作者: Shi, TJ;  Yang, DL;  Zhu, QH;  Ge, JH;  Bai, P;  Sheng, LS;  Wu, GH;  Zhang, YW
刊名: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
发表日期: 2004-05-07
DOI: 10.1039/b314714b
卷: 6, 期:9, 页:2281-2284
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 photoionization-dissociation patterns of neutral clusters M(NH3)(n) (M = 1,4-dioxane) were studied by synchrotron radiation and TOF mass spectrometry. The observed major product cations are protonated cluster ions M(NH3)(n)H+, and the intensities of unprotonated cluster ions M(NH3)(n)(+) are much lower. This phenomenon was also investigated with ab initio MO theory. The calculated results show that the neutral cluster M(NH3)(2) is vertically ionized into the unstable cation M-NH3-N+*H-3 and the cation easily undergoes a fast barrierless proton-transfer process to form the stable intermediate M(NH3)H+-NH2, then the intermediate dissociates into a protonated ionic cluster M(NH3)H+ and a radical NH2.
关键词[WOS]: METHANOL CLUSTERS ;  MULTIPHOTON IONIZATION ;  AMMONIA ;  ENERGY ;  DIMER ;  IONS
语种: 英语
WOS记录号: WOS:000221886100053
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/139323
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, Ctr Mol Sci, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China
2.Tianjin Univ, Sch Chem Engn, Dept Pharmaceut Engn, Tianjin 300072, Peoples R China
3.USTC, Natl Synchrotron Radiat Lab, Hefei 230027, Peoples R China

Recommended Citation:
Shi, TJ,Yang, DL,Zhu, QH,et al. Proton transfer in 1,4-dioxane/ammonia hydrogen bond clusters[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2004,6(9):2281-2284.
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