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Infrared Spectra, Structures and Bonding of Binuclear Transition Metal Carbonyl Cluster Ions
Guan-jun Wang,Ming-fei Zhou*
Author NameAffiliationE-mail
Guan-jun Wang 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  
Ming-fei Zhou* 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 mfzhou@fudan.edu.cn 
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.
Key words:  Transition metal carbonyl complex  Infrared photodissociation spectroscopy  Metal-metal bonding  Metal-ligand interaction  The 18-electron rule
FundProject:
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
王冠军,周鸣飞*
摘要:
关键词:  
DOI:10.1063/1674-0068/31/cjcp1710192
分类号: