Infrared Spectra,Structures and Bonding of Binuclear Transition Metal Carbonyl Cluster Ions  

双核过渡金属羰基配合物团簇离子的红外光谱、结构和成键（英文）

作　　者：王冠军 周鸣飞 

机构地区：[1]复旦大学化学系能源材料化学协同创新中心上海市分子催化和功能材料重点实验室

出　　处：《Chinese Journal of Chemical Physics》2018年第1期1-11,I0001,共12页化学物理学报（英文）

基　　金：supported by the National Natural Science Foundation of China(No.21688102,No.21573047and No.21273045)

摘　　要：Binuclear transition metal carbonyl clusters serve as the simplest models in understand- ing metal-metal and ligand bonding that are important organometallic chemistry catalysis. Binuclear first row transition metal carbonyl ions are produced via a pulsed laser vaporiza- tion/supersonic expansion cluster ion source in the gas phase. These ions are studied by mass-selected infrared photodissociation spectroscopy in the carbonyl stretching frequency region. Density functional theory calculations have been performed on the geometric struc- tures and vibrational spectra of the carbonyl ions. Their geometric and electronic structures are determined by comparison of the experimental IR spectra with the simulated spectra. The structure and the metM-metal and metal-CO bonding of both saturated and unsaturated homonuclear as well as heteronuclear carbonyl cluster cations and anions are discussed.

关 键 词：Transition metal carbonyl complex Infrared photodissociation spectroscopy Metal-metal bonding Metal-ligand interaction The 18-electron rule 

分 类 号：O641.4[理学—物理化学]