R. Broussier et al., PROPYLTHIOCYCLOPENTADIENE - A NEW SYNTHETIC ROUTE TO COMPLEXES OF IRON AND GROUP-4 TRANSITION-METALS - MOLECULAR-STRUCTURE OF (C5H4SCH2CH2CH3)(2)ZRCL2, Bulletin de la Societe chimique de France, 133(9), 1996, pp. 843-851
The use of the propylthio-substituted cyclopentadienylsodium salt lead
s to 1,1'-bis(propylthio) ferrocene and dichlorobis(propylthiocyclopen
tadienyl)zirconium, titanium or hafnium(IV). The structure of (C5H4SCH
2CH2CH3)(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) An
gstrom, 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 studi
es. The physico chemical properties of 1,1'-bis(propylthio) ferrocene
are discussed by a molecular approach at the extended Huckel level.