Structure of tris(cyclopentadienyl)scandium isolated in solid argon matrices

Tris(cyclopentadienyl)scandium ScCp3 was isolated in Ar-matrices (20 K) and the structure of monomeric ScCp3 was studied using infrared spectrometry. When compared with the spectra and results of density functional calculations, the matrix-isolated ScCp3 was found to have a structure where all three of the cyclopentadienyl rings coordinate to scandium in η5 coordination, Sc(η5-Cp)3, which is different from the structure in the solid phase. Moreover, a stable dimer structure was estimated to be [(η5-Cp)2Sc(μ-η1-Cp:η1-Cp)]2, using density functional calculations.