Infrared Photodissociation Spectra of Mass-Selected Homoleptic Dinuclear Palladium Carbonyl Cluster Cations in the Gas Phase
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 spe...
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| Published in | Chinese journal of chemistry Vol. 30; no. 9; pp. 2131 - 2137 |
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| Main Author | |
| Format | Journal Article |
| Language | English |
| Published |
Weinheim
WILEY-VCH Verlag
01.09.2012
WILEY‐VCH Verlag Wiley Subscription Services, Inc |
| Subjects | |
| Online Access | Get full text |
| ISSN | 1001-604X 1614-7065 |
| DOI | 10.1002/cjoc.201200595 |
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| Summary: | 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. |
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| Bibliography: | Cui, Jieming Xing, Xiaopeng Chi, Chaoxian Wang, Guanjun Liu, Zhipan Zhou, Mingfei（a Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai 200433, China b Graduate University of Chinese Academy of Sciences, College of Materials Sciences and Opto-Electronic Tech nology, Beijing 100049, China） 31-1547/O6 metal carbonyl cluster, palladium-palladium bonding, density functional calculation, infrared spectrum 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. the National Natural Science Foundation of China - No. 20933030 and 21173053 ArticleID:CJOC201200595 ark:/67375/WNG-21BLPCK1-L istex:278BE76CC670A8CF32CBB5C151E61D7BE0693788 National Basic Research Program of China - No. 2010CB732306 ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 14 |
| ISSN: | 1001-604X 1614-7065 |
| DOI: | 10.1002/cjoc.201200595 |