Probing the bonding of CO to heteronuclear group 4 metal-nickel clusters by photoelectron spectroscopy

doi:10.1039/c7cp00171a

	Probing the bonding of CO to heteronuclear group 4 metal-nickel clusters by photoelectron spectroscopy
	Zou, Jinghan 1,2; Xie, Hua 2; Yuan, Qinqin 1,2; Zhang, Jumei 1,2; Dai, Dongxu 2; Fan, Hongjun 2; Tang, Zichao 3; Jiang, Ling 2
刊名	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
	2017-04-21
卷号	19 页码:9790-9797
DOI	10.1039/c7cp00171a
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.
语种	英语
WOS记录号	WOS:000399383100011
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/152325]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
作者单位	1.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China 2.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 3.Xiamen Univ, Coll Chem & Chem Engn, Dept Chem, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China
推荐引用方式 GB/T 7714	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.
APA	Zou, Jinghan.,Xie, Hua.,Yuan, Qinqin.,Zhang, Jumei.,Dai, Dongxu.,...&Jiang, Ling.(2017).Probing the bonding of CO to heteronuclear group 4 metal-nickel clusters by photoelectron spectroscopy.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,19,9790-9797.
MLA	Zou, Jinghan,et al."Probing the bonding of CO to heteronuclear group 4 metal-nickel clusters by photoelectron spectroscopy".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19(2017):9790-9797.