Syntheses and spectra of chromium-titanium complexes bridged by carboxylate substituted cyclopentadienyl group: The structure of Cp2Ti(CH3){[OC(O)C5H4]Cr(NO)2Cl}

Mono-demethylation of Cp2TiMe2 with 1 M equivalent of [η5-(C5H4COOH)]Cr(NO)2Cl, a new compound, gave Cp2Ti(CH3){[OC(O)C5H4]Cr(NO)2Cl}. The strong electron-donating property of Cp2Ti(Me)- was revealed via IR, 1H NMR, 13C NMR and X-ray crystal data. The electron density distribution in the substituted cyclopentadienyl ring is discussed on the basis of 13C NMR data and compared with calculations via density functional B3LYP correlation-exchange method.