Details

Autor(en) / Beteiligte

• Moore, David T
• Oomens, Jos
• Eyler, John R
• Meijer, Gerard
• von Helden, Gert
• Ridge, Douglas P

Titel

Gas-Phase IR Spectroscopy of Anionic Iron Carbonyl Clusters

Ist Teil von

• Journal of the American Chemical Society, 2004-11, Vol.126 (45), p.14726-14727

Ort / Verlag

Washington, DC: American Chemical Society

Erscheinungsjahr

2004

Link zum Volltext

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• 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 (μ2-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.