DICP OpenIR
Probing the microhydration of metal carbonyls: a photoelectron velocity-map imaging spectroscopic and theoretical study of Ni(CO)(3)(H2O)n(-)
Xie, Hua1; Zou, Jinghan1; Kong, Xiangtao1; Zhang, Weiqing1; Ahmed, Musahid2; Jiang, Ling1
Source PublicationPHYSICAL CHEMISTRY CHEMICAL PHYSICS
2016-10-14
ISSN1463-9076
DOI10.1039/c6cp05035b
Volume18Issue:38Pages:26719-26724
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Physics
WOS KeywordDENSITY-FUNCTIONAL CALCULATIONS ; MATRIX INFRARED-SPECTRA ; VIBRATIONAL SPECTROSCOPY ; CLUSTERS ; TRANSITION ; CO ; ANIONS ; ATOMS ; CHEMISORPTION ; ADSORPTION
AbstractA 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.
Language英语
WOS IDWOS:000385175000040
PublisherROYAL SOC CHEMISTRY
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/169863
Collection中国科学院大连化学物理研究所
Corresponding AuthorJiang, Ling
Affiliation1.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
Recommended Citation
GB/T 7714
Xie, Hua,Zou, Jinghan,Kong, Xiangtao,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,Zou, Jinghan,Kong, Xiangtao,Zhang, Weiqing,Ahmed, Musahid,&Jiang, Ling.(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.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Xie, Hua]'s Articles
[Zou, Jinghan]'s Articles
[Kong, Xiangtao]'s Articles
Baidu academic
Similar articles in Baidu academic
[Xie, Hua]'s Articles
[Zou, Jinghan]'s Articles
[Kong, Xiangtao]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Xie, Hua]'s Articles
[Zou, Jinghan]'s Articles
[Kong, Xiangtao]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.