Photoelectron imaging spectroscopic signatures of CO activation by the heterotrinuclear titanium-nickel clusters

作     者：Jianpeng Yang Jumei Zhang Shihu Du Gang Li Jinghan Zou Qiangshan Jing Hua Xie Ling Jiang Jianpeng Yang;Jumei Zhang;Shihu Du;Gang Li;Jinghan Zou;Qiangshan Jing;Hua Xie;Ling Jiang

作者机构：College of Chemistry and Chemical EngineeringXinyang Normal UniversityXinyang 464000China State Key Laboratory of Molecular Reaction DynamicsDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China School of Life ScienceLudong UniversityYantai 264025China 

出 版 物：《Chinese Chemical Letters》 (中国化学快报（英文版）)

年 卷 期：2023年第34卷第6期

页      面：567-571页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 070304[理学-物理化学(含∶化学物理)] 08[工学] 0817[工学-化学工程与技术] 070302[理学-分析化学] 0703[理学-化学] 

基　　金：supported by the National Natural Science Foundation of China(Nos.21873097,22103082,92061203,22125303 and 22288201) the Youth Innovation Promotion Association of the Chinese Academy of Sciences(CAS,No.2020187) the Strategic Priority Research Program of CAS(No.XDB17000000) 

主　　题：CO activation Transition metal carbonyl Heteronuclear cluster Photoelectron imaging Quantum chemical calculations 

摘      要：A series of heterotrinuclear Ti_(2)Ni(CO)_(n)^(-)(n=6-9)carbonyls have been generated via a laser vaporization supersonic cluster source and characterized by mass-selected photoelectron velocity-map imaging *** chemical calculations have been carried out to identify the structures and understand the experimental spectral *** results indicate that a building block of Ti-Ti-Ni-C four-membered ring with the C atom bonded to Ti,Ti,and Ni is dominated in the n=6-8 complexes,whereas a structural motif of Ti-Ti-Ni triangle core is preferred in n=*** complexes are found to be capable of simultaneously accommodating all the main modes of metal-CO coordination(i.e.,terminal,bridging,and side-on modes),where the corresponding mode points to the weak,moderate,high C-O bond activation,*** number of CO ligands for a specific bonding mode varies with the cluster *** findings have important implications for molecular-level understanding of the interaction of CO with alloy surfaces/interfaces and tuning the appropriate CO activation via the selection of different metals.