| 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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