Solid state13C NMR spectra of metal carbonyl clusters

Abstract

The solid state13C NMR spectra of four13CO enriched carbonyl clusters having a tri-iron metallic core have been analyzed to provide structural and dynamic information. In Fe3(CO)12 (1), the high temperature spectra suggest the occurrence of large amplitude motions of the CO groups around their position at the vertexes of the coordination polyhedron in addition to the motion involving the Fe3-triangle previously detected in the VT-13C MAS spectra.13C and31P NMR data of Fe3(CO)11PPh3 (2) indicates the presence of one molecule in the asymmetric unit in apparent disagreement with the previously reported X-ray data. Furthermore, we show that structural information can be obtained from the chemical shift tensor components readily available from the analysis of the spinning sideband manifold.