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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
引用本文:王冠军,周鸣飞.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[J].化学物理学报,2018,31(1):1-11.
作者姓名:王冠军  周鸣飞
作者单位: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, 上海 200433,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, 上海 200433
摘    要:

收稿时间:2017/10/20 0:00:00

Infrared Spectra, Structures and Bonding of Binuclear Transition Metal Carbonyl Cluster Ions
Guan-jun Wang and Ming-fei Zhou.Infrared Spectra, Structures and Bonding of Binuclear Transition Metal Carbonyl Cluster Ions[J].Chinese Journal of Chemical Physics,2018,31(1):1-11.
Authors:Guan-jun Wang and Ming-fei Zhou
Affiliation:Collaborative Innovation Center of Chemistry for Energy Materials, Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Fudan University, Shanghai 200433, China and Collaborative Innovation Center of Chemistry for Energy Materials, Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Fudan University, Shanghai 200433, China
Abstract:Binuclear transition metal carbonyl clusters serve as the simplest models in understanding metal-metal and ligand bonding that are important organometallic chemistry catalysis. Binuclear first row transition metal carbonyl ions are produced via a pulsed laser vaporization/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 structures 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 metal-metal and metal-CO bonding of both saturated and unsaturated homonuclear as well as heteronuclear carbonyl cluster cations and anions are discussed.
Keywords:Transition metal carbonyl complex  Infrared photodissociation spectroscopy  Metal-metal bonding  Metal-ligand interaction  The 18-electron rule
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