STRUCTURAL CHARACTERIZATION OF ORGANOMETALLIC SANDWICH INTERCALATES OF TIN AND ZIRCONIUM DICHALCOGENIDES BY X-RAY AND NEUTRON-DIFFRACTION AND SOLID-STATE H-2 NMR-SPECTROSCOPY

The orientations of organometallic sandwich complexes CO(eta-C5H5)(2), Cr(eta-C5H5)(2), Co(eta-C5H4CH3)(2), Mo(eta-C6H6)(2), W(eta-C7H7)(eta-C5H4CH3), and Ti(eta-C8H8)(eta-C5H5) intercalated in the lamellar metal dichalcogenide lattices ZrS2 and SnX(2) (X = S, Se) have been examined using 1-dimensional refinements of their neutron and X-ray diffraction spectra. The results strongly suggest that these organometallic sandwich complexes all adopt a preferred orientation in which their metal-to-ring centroid axes lie parallel to the host layer planes. The orientation of Co(eta-C5D5)(2) intercalated in ZrS2 and SnSe2 has been confirmed by solid state H-2 NMR spectroscopy using oriented single crystals of ZrS2{Co(eta-C5D5)(2)}(0.25) and SnSe2{Co(eta-C5D5)(2)}(0.30).