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Proton transfer in 1,4-dioxane/ammonia hydrogen bond clusters
Shi, TJ; Yang, DL; Zhu, QH; Ge, JH; Bai, P; Sheng, LS; Wu, GH; Zhang, YW
刊名PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2004-05-07
DOI10.1039/b314714b
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
关键词[WOS]METHANOL CLUSTERS ; MULTIPHOTON IONIZATION ; AMMONIA ; ENERGY ; DIMER ; IONS
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.
语种英语
WOS记录号WOS:000221886100053
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文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/139323
专题中国科学院大连化学物理研究所
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
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GB/T 7714
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.
APA Shi, TJ.,Yang, DL.,Zhu, QH.,Ge, JH.,Bai, P.,...&Zhang, YW.(2004).Proton transfer in 1,4-dioxane/ammonia hydrogen bond clusters.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,6(9),2281-2284.
MLA Shi, TJ,et al."Proton transfer in 1,4-dioxane/ammonia hydrogen bond clusters".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 6.9(2004):2281-2284.
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