CP3ZR(ACETONITRILE)(- STRUCTURE OF AN ELECTRON-RICH ORGANOMETALLIC D(0)-CATION() )

The organometallic salt [Cp3Zr(N drop C-CH3)](+) [CH3B-(C6F5)(3)](-) ( 3a) has been prepared by treatment of Cp3ZrCH3 with B(C6F5)(3) followe d by the addition of acetonitrile. X-ray crystal structure analysis of 3a shows that it cation consists of three uniformly coordinated eta(5 )-cyclopentadienyl ligands about the zirconium atom. The acetonitrile ligand is end-on coordinated. In the linear [Zr]-N drop C-CH3 unit the C drop N triple bond [N-C2 1.126(5) Angstrom] is slightly shorter tha n in the free acetonitrile molecule [d(C drop N)=1.141(2) Angstrom], t he structure of which was determined as a reference by X-ray diffracti on of a crystal obtained by IR-laser-induced zone melting on the diffr actometer.