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题名: Adsorption of C2H Radical on Cobalt Clusters: Anion Photoelectron Spectroscopy and Density Functional Calculations
作者: Yuan, Jinyun1;  Xu, Hong-Guang1;  Zhang, Zeng-Guang1;  Feng, Yuan1;  Zheng, Weijun1
刊名: JOURNAL OF PHYSICAL CHEMISTRY A
发表日期: 2011-01-20
DOI: 10.1021/jp108847f
卷: 115, 期:2, 页:182-186
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 investigated the adsorption of C2H radical on small cobalt clusters by mass spectrometry and by measuring the photoelectron spectra of ConC2H- (n = 1-5) cluster anions. The most stable structures of ConC2H- (n = 1-5) and their neutrals were determined by comparing the experimental results with theoretical calculations. Our studies show that C2H radical still maintains its integrity as a structural unit in ConC2H- clusters, rather than being divided by Co-n clusters. The most stable isomers of Co1-2C2H- clusters are linear with the C2H interacting with only one Co atom, while those of Co3-5C2H- cluster anions are quasi-planar structures with the carbon-carbon bonds bending slightly toward the Co3-5 clusters. The carbon carbon bond of C2H is lengthened more in Co3-5C2H- clusters than in Co1-2C2H-.
关键词[WOS]: FREQUENCY LASER SPECTROSCOPY ;  ELECTRONIC-STRUCTURE ;  CO-N ;  HOMOGENEOUS PYROLYSIS ;  TRANSITION ;  MONOACETYLIDE ;  SPECTRUM ;  REGION ;  IDENTIFICATION ;  ABSORPTION
语种: 英语
WOS记录号: WOS:000286090300010
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142645
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, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China

Recommended Citation:
Yuan, Jinyun,Xu, Hong-Guang,Zhang, Zeng-Guang,et al. Adsorption of C2H Radical on Cobalt Clusters: Anion Photoelectron Spectroscopy and Density Functional Calculations[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2011,115(2):182-186.
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