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题名: Probing the bonding of CO to heteronuclear group 4 metal-nickel clusters by photoelectron spectroscopy
作者: Zou, Jinghan1, 2;  Xie, Hua1;  Yuan, Qinqin1, 2;  Zhang, Jumei1, 2;  Dai, Dongxu1;  Fan, Hongjun1;  Tang, Zichao3;  Jiang, Ling1
刊名: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
发表日期: 2017-04-21
DOI: 10.1039/c7cp00171a
卷: 19, 页:9790-9797
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: A series of heterobinuclear group 4 metal-nickel carbonyls MNi(CO)(n)(-) (M = Ti, Zr, Hf; n = 3-7) has been generated via a laser vaporization supersonic cluster source and characterized by mass-selected photoelectron velocity-map imaging spectroscopy. Quantum chemical calculations have been carried out to elucidate the geometric and electronic structures and support the spectral assignments. The n = 3 cluster is determined to be capable of simultaneously accommodating three different types of CO bonds (i.e., side-on-bonded, bridging, and terminal modes), resulting in a MNi[eta(2)(mu(2)-C, O)](mu-CO)(CO)(-) structure, which represents the smallest metal carbonyl with the involvement of all the main modes of metal-CO coordination to date. The building block of three bridging CO molecules is favored at n = 4, the structure of which persists up to n = 7. The additional CO ligands are bonded terminally to the metal atoms. The present findings provide important new insight into the structure and bonding mechanisms of CO molecules with heteronuclear transition metals, which would have important implications for understanding chemisorbed CO molecules on alloy surfaces.
关键词[WOS]: INFRARED PHOTODISSOCIATION SPECTROSCOPY ;  DENSITY-FUNCTIONAL-THEORY ;  GAS-PHASE ;  CARBONYL CATIONS ;  ANIONS ;  MOLECULES ;  SURFACE ;  PHOTOCONVERSION ;  DISSOCIATION ;  MONOXIDE
语种: 英语
WOS记录号: WOS:000399383100011
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/152325
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, Collaborat Innovat Ctr Chem Energy & Mat iChEM, State Key Lab Mol React Dynam, 457 Zhongshan Rd, Dalian 116023, Liaoning, Peoples R China
2.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China
3.Xiamen Univ, Coll Chem & Chem Engn, Dept Chem, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China

Recommended Citation:
Zou, Jinghan,Xie, Hua,Yuan, Qinqin,et al. Probing the bonding of CO to heteronuclear group 4 metal-nickel clusters by photoelectron spectroscopy[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,19:9790-9797.
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