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Photoelectron Imaging and Theoretical Study on Nascent Hydrogen Bond Network in Microsolvated Clusters of Au-(CH3OH)(n) (n=1-5)
Qin, Zhengbo; Cong, Ran; Xie, Hua; Liu, Zhiling; Wu, Xia; Tang, Zichao; Jiang, Ling; Fan, Hongjun
刊名JOURNAL OF PHYSICAL CHEMISTRY A
2014-05-15
DOI10.1021/jp411411j
118期:19页:3402-3409
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]AB-INITIO CALCULATIONS ; CATIONS INFRARED-SPECTROSCOPY ; METAL-ION COMPLEXES ; GAS-PHASE ; GOLD CLUSTERS ; BASIS-SETS ; ALKALINE-EARTH ; ATOMIC OXYGEN ; SOLVATION ; WATER
英文摘要We first demonstrate the photoelectron spectroscopic evidence of the transition of two competitive solvation patterns in the Au-(CH3OH)(n) (n = 1-5) clusters. Quantum chemical calculations have been carried out to characterize the geometric structures, energy properties and hydrogen-bonded patterns, and to aid the spectral assignment. It has been found that the nonconventional hydrogen bonds dominate the small clusters (n = 1 and 2), whereas the conventional hydrogen bonds play more and more important role from n = 2 to n = 5. This finding provides concrete hydrogen bond network evolution of Au- surrounded by methanol molecules.
语种英语
WOS记录号WOS:000336199500002
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文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/145920
专题中国科学院大连化学物理研究所
作者单位Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
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Qin, Zhengbo,Cong, Ran,Xie, Hua,et al. Photoelectron Imaging and Theoretical Study on Nascent Hydrogen Bond Network in Microsolvated Clusters of Au-(CH3OH)(n) (n=1-5)[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2014,118(19):3402-3409.
APA Qin, Zhengbo.,Cong, Ran.,Xie, Hua.,Liu, Zhiling.,Wu, Xia.,...&Fan, Hongjun.(2014).Photoelectron Imaging and Theoretical Study on Nascent Hydrogen Bond Network in Microsolvated Clusters of Au-(CH3OH)(n) (n=1-5).JOURNAL OF PHYSICAL CHEMISTRY A,118(19),3402-3409.
MLA Qin, Zhengbo,et al."Photoelectron Imaging and Theoretical Study on Nascent Hydrogen Bond Network in Microsolvated Clusters of Au-(CH3OH)(n) (n=1-5)".JOURNAL OF PHYSICAL CHEMISTRY A 118.19(2014):3402-3409.
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