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Photodissociation and Density Functional Calculations of Small VmOn+ Clusters
Ren-zhong Li,Hong-guang Xu,Guo-jin Cao,Yu-chao Zhao,Wei-jun Zheng*
Author NameAffiliationE-mail
Ren-zhong Li Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Molecular Reaction Dy-namics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China  
Hong-guang Xu Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Molecular Reaction Dy-namics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China  
Guo-jin Cao Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Molecular Reaction Dy-namics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China  
Yu-chao Zhao Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Molecular Reaction Dy-namics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China  
Wei-jun Zheng* Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Molecular Reaction Dy-namics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China zhengwj@iccas.ac.cn 
Abstract:
Oxygen-poor vanadium oxide clusters, V2On+ (n=1, 2), V3On+ (n=1, 2, 3), and V4O3+, were produced by laser vaporization and were mass-selected and photodissociated with 532 and 266 nm photons. The geometric structures and possible dissociation channels of these clusters were determined based on the comparison of density functional calculations and pho-todissociation experiments. The experiments show that the dissociation of V2O+, V2O2+, and V3O3+ mainly occurs by loss of VO, while the dissociation of V3O+ and V4O3+ mainly occurs by loss of V atom. For the dissociation of V3O2+, the VO loss channel is slightly dominant compared to the V loss channel. The combination of experimental results and theoretical calculations suggests that the V loss channels of V3O+ and V4O3+ are single photon processes at both 532 and 266 nm. The VO loss channels of V2O2+ and V3O3+ are multiple-photon processes at both 532 and 266 nm.
Key words:  Mass spectrometry, Mass-selection, Photodissociation, Vanadium oxide cluster
FundProject:
小尺寸VmOn+团簇的激光光解和密度泛函计算
李仁忠,许洪光,曹国进,赵雨超,郑卫军*
摘要:
通过激光溅射法产生了V2On+ (n=1, 2), V3On+ (n=1, 2, 3)和V4O3+等缺氧的钒氧团簇,并采用532和266 nm波长的激光对它们进行了光解研究. 利用密度泛函理论计算与激光光解实验相结合确定了这些团簇的几何结构和可能的光解通道. 激光光解实验表明V
关键词:  质谱,质量选择,光解,钒氧团簇
DOI:10.1088/1674-0068/24/05/572-579
分类号: