Probing the microhydration of metal carbonyls: a photoelectron velocity-map imaging spectroscopic and theoretical study of Ni(CO)(3)(H2O)n(-)

doi:10.1039/c6cp05035b

	Probing the microhydration of metal carbonyls: a photoelectron velocity-map imaging spectroscopic and theoretical study of Ni(CO)(3)(H2O)n(-)
	Xie, Hua 1; Kong, Xiangtao 1; Zhang, Weiqing 1; Ahmed, Musahid 2; Jiang, Ling 1; Zou, Jinghan 1
刊名	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
	2016-10-14
卷号	18 期号:38 页码:26719-26724
ISSN号	1463-9076
DOI	10.1039/c6cp05035b
文献子类	Article
英文摘要	A series of microhydrated nickel carbonyls, Ni(CO)(3)(H2O)n(-) (n = 0-4), are prepared via a laser vaporization supersonic cluster source in the gas phase and identified by mass-selected photoelectron velocity-map imaging spectroscopy and quantum chemical calculations. Vertical detachment energies for the n = 1-4 anions are measured from the photoelectron spectra to be 1.429 +/- 0.103, 1.698 +/- 0.090, 1.887 +/- 0.080, and 2.023 +/- 0.074 eV, respectively. The C-O stretching vibrational frequencies in the corresponding neutral clusters are determined to be 1968, 1950, 1945, and 1940 cm(-1) for n = 1-4, respectively, which are characteristic of terminal CO. It is determined that the hydrogen atom of the first water molecule is bound to the nickel center. Addition of a second water molecule prefers solvation at the carbonyl terminal. Spectroscopy combined with theory suggests that the solvation of nickel tricarbonyl is dominated by a water-ring network. The present findings would have important implications for the fundamental understanding of the multifaceted mechanisms of the multibody interaction of water and carbon monoxide with transition metals.
WOS关键词	DENSITY-FUNCTIONAL CALCULATIONS ; MATRIX INFRARED-SPECTRA ; VIBRATIONAL SPECTROSCOPY ; CLUSTERS ; TRANSITION ; CO ; ANIONS ; ATOMS ; CHEMISORPTION ; ADSORPTION
WOS研究方向	Chemistry ; Physics
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000385175000040
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/169862]
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
通讯作者	Jiang, Ling
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.Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA
推荐引用方式 GB/T 7714	Xie, Hua,Kong, Xiangtao,Zhang, Weiqing,et al. Probing the microhydration of metal carbonyls: a photoelectron velocity-map imaging spectroscopic and theoretical study of Ni(CO)(3)(H2O)n(-)[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2016,18(38):26719-26724.
APA	Xie, Hua,Kong, Xiangtao,Zhang, Weiqing,Ahmed, Musahid,Jiang, Ling,&Zou, Jinghan.(2016).Probing the microhydration of metal carbonyls: a photoelectron velocity-map imaging spectroscopic and theoretical study of Ni(CO)(3)(H2O)n(-).PHYSICAL CHEMISTRY CHEMICAL PHYSICS,18(38),26719-26724.
MLA	Xie, Hua,et al."Probing the microhydration of metal carbonyls: a photoelectron velocity-map imaging spectroscopic and theoretical study of Ni(CO)(3)(H2O)n(-)".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.38(2016):26719-26724.