ICCAS OpenIR
Characterization of Mononuclear Oxygen-Centered Radical (O-center dot) in Zr2O8- Cluster
Ma, Jia-Bi1,2; Wu, Xiao-Nan1,2; Zhao, Yan-Xia1,2; Ding, Xun-Lei1; He, Sheng-Gui1
2010-09-23
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY A
ISSN1089-5639
Volume114Issue:37Pages:10024-10027
AbstractZirconium oxide cluster anions ZrxOy- are prepared by laser ablation and are reacted with n-butane in a fast flow reactor under near room temperature conditions. A time-of-flight mass spectrometer is used to detect the cluster distribution before and after the reactions. Observation of a hydrogen atom pickup product Zr2O8H- indicates a C-H activation reaction: Zr2O8- + n-C4H10 -> Zr2O8H- + C4H9. Density functional theory calculations predict that the oxygen-very-rich cluster Zr2O8- contains one mononuclear oxygen-centered radical (O-center dot), which leads to a high C-H activation reactivity, in agreement with the experiments. This study provides one example for how the highly oxidative O-center dot radical may be generated by adsorption of O-2 onto unreactive metal oxide clusters.
DOI10.1021/jp106857y
Indexed BySCI
Language英语
WOS IDWOS:000281753800009
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:30[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/70896
Collection中国科学院化学研究所
Corresponding AuthorHe, Sheng-Gui
Affiliation1.Chinese Acad Sci, BNLMS, State Key Lab Struct Chem Unstable & Stable Speci, Inst Chem, Beijing 100190, Peoples R China
2.Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China
Recommended Citation
GB/T 7714
Ma, Jia-Bi,Wu, Xiao-Nan,Zhao, Yan-Xia,et al. Characterization of Mononuclear Oxygen-Centered Radical (O-center dot) in Zr2O8- Cluster[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2010,114(37):10024-10027.
APA Ma, Jia-Bi,Wu, Xiao-Nan,Zhao, Yan-Xia,Ding, Xun-Lei,&He, Sheng-Gui.(2010).Characterization of Mononuclear Oxygen-Centered Radical (O-center dot) in Zr2O8- Cluster.JOURNAL OF PHYSICAL CHEMISTRY A,114(37),10024-10027.
MLA Ma, Jia-Bi,et al."Characterization of Mononuclear Oxygen-Centered Radical (O-center dot) in Zr2O8- Cluster".JOURNAL OF PHYSICAL CHEMISTRY A 114.37(2010):10024-10027.
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