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题名: Photoelectron Imaging and Theoretical Study on Nascent Hydrogen Bond Network in Microsolvated Clusters of Au-(CH3OH)(n) (n=1-5)
作者: Qin, Zhengbo1;  Cong, Ran1;  Xie, Hua1;  Liu, Zhiling1;  Wu, Xia1;  Tang, Zichao1;  Jiang, Ling1;  Fan, Hongjun1
刊名: JOURNAL OF PHYSICAL CHEMISTRY A
发表日期: 2014-05-15
DOI: 10.1021/jp411411j
卷: 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
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.
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
语种: 英语
WOS记录号: WOS:000336199500002
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/145920
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, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
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.
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