Propylthiocyclopentadiene: A new synthetic route to complexes of iron and group 4 transition metals. Molecular structure of (C5H4SCH2CH2CH3)(2)ZrCl2

Abstract

The use of the propylthio-substituted cyclopentadienylsodium salt leads to 1,1'-bis(propylthio) ferrocene and dichlorobis(propylthiocyclopentadienyl)zirconium, titanium or hafnium(IV). The structure of (C5H4SCH2CH2CH3)(2)ZrCl2 has been established by X-ray analysis (orthorhombic, Pbcn, a = 11.943(1) Angstrom, b = 6.883(2) Angstrom, c = 22.412(2) Angstrom, V = 1842.4(2) Angstrom(3), Z = 4, R(F) = 0.027). The complexes have been characterized by H-1 and C-13 NMR and electrochemical studies. The physico chemical properties of 1,1'-bis(propylthio) ferrocene are discussed by a molecular approach at the extended Huckel level