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          Institute: Fritz-Haber-Institut     Collection: Molecular Physics     Display Documents



ID: 206551.0, Fritz-Haber-Institut / Molecular Physics
Gas-Phase IR Spectroscopy of Anionic Iron Carbonyl Clusters
Authors:Moore, David T.; Oomens, Jos; Eyler, John R.; Meijer, Gerard; Helden, Gert von; Ridge, Douglas P.
Language:English
Date of Publication (YYYY-MM-DD):2004-10-26
Title of Journal:Journal of the American Chemical Society
Journal Abbrev.:J. Am. Chem. Soc.
Volume:126
Issue / Number:45
Start Page:14726
End Page:14727
Copyright:2004 American Chemical Society
Review Status:Peer-review
Audience:Experts Only
Abstract / Description:The first gas-phase vibrational spectra are presented for several anionic iron carbonyl clusters, ranging in size from Fe(CO)4- to Fe5(CO)14- in the CO-stretching region (1600-2100 cm-1). The experimental spectra provide some immediate structural information about the clusters in the form of low-wavenumber (1750-1850 cm-1) bands marking the presence of bridging carbonyl ligands (2-COs). Supporting DFT calculations are presented for the smaller clusters (<3 Fe atoms) and give good agreement with the experimental data, allowing structural assignments for these cases. The Fe2(CO)7- spectrum suggests a structure lacking bridging carbonyl ligands, in agreement with the DFT results. For the case of Fe2(CO)8-, there are two possible structures based on the calculations, both with and without bridging carbonyls. The presence of a low-frequency band (~1770 cm-1) in the experimental spectrum conclusively demonstrates the existence of the bridged form. The ramifications of these data for metal-metal bonding in the clusters are also considered.
External Publication Status:published
Document Type:Article
Communicated by:Gerard Meijer
Affiliations:Fritz-Haber-Institut/Molecular Physics
External Affiliations:FOM Institute for Plasma Physics "Rijnhuizen", Nieuwegein, The Netherlands
Identifiers:URL:http://pubs.acs.org/cgi-bin/abstract.cgi/jacsat/20...
DOI:10.1021/ja0449527
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