Infrared Photodissociation Spectra of Mass-Selected Homoleptic Dinuclear Palladium Carbonyl Cluster Cations in the Gas Phase  

作　　者：崔洁铭 邢小鹏 池超贤 王冠军 刘智攀 周鸣飞 

机构地区：[1]Department of Chemistry,Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials,Fudan University,Shanghai 200433,China [2]Graduate University of Chinese Academy of Sciences,College of Materials Sciences and Opto-Electronic Tech-nology,Beijing 100049,China

出　　处：《Chinese Journal of Chemistry》2012年第9期2131-2137,共7页中国化学（英文版）

摘　　要：Infrared spectra of mass-selected homoleptic dinuclear palladium carbonyl cluster cations Pd2（CO）n （n=5 8） are measured via infrared photodissociation spectroscopy in the carbonyl stretching frequency region. The structures are established by comparison of the experimental spectra with simulated spectra derived from density functional calculations. The Pd2（CO）＋ cation is characterized to have two weakly semibridging CO groups with C2 symmetry. The Pd2（CO）6＋ and Pd2（CO）7＋ cations are determined to involve one weakly semibridging CO group. The Pd2（CO）8＋ cation is a CO coordination saturated cluster, which is determined to have a D2d structure with all of the carbonyl groups terminally bonded. Bonding analysis indicates that these cluster cations each has a Pd--Pd half bond. The Pd--Pd distance increases with the number of CO ligands.Infrared spectra of mass-selected homoleptic dinuclear palladium carbonyl cluster cations Pd2（CO）n （n=5 8） are measured via infrared photodissociation spectroscopy in the carbonyl stretching frequency region. The structures are established by comparison of the experimental spectra with simulated spectra derived from density functional calculations. The Pd2（CO）＋ cation is characterized to have two weakly semibridging CO groups with C2 symmetry. The Pd2（CO）6＋ and Pd2（CO）7＋ cations are determined to involve one weakly semibridging CO group. The Pd2（CO）8＋ cation is a CO coordination saturated cluster, which is determined to have a D2d structure with all of the carbonyl groups terminally bonded. Bonding analysis indicates that these cluster cations each has a Pd--Pd half bond. The Pd--Pd distance increases with the number of CO ligands.

关 键 词：metal carbonyl cluster palladium-palladium bonding density functional calculation infrared spectrum 

分 类 号：O623.521[理学—有机化学] O641.2[理学—化学]