ICCAS OpenIR
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
2004-05-07
Source PublicationPHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN1463-9076
Volume6Issue:9Pages:2281-2284
AbstractThe 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.
DOI10.1039/b314714b
Indexed BySCI
Language英语
WOS IDWOS:000221886100053
PublisherROYAL SOC CHEMISTRY
Citation statistics
Cited Times:5[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/82110
Collection中国科学院化学研究所
Corresponding AuthorShi, TJ
Affiliation1.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
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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