Syntheses and crystal structures of [(C6H5CH2C5H4)2GdCl.THF]2 and (C6H5CH2C5H4)2ErCl.THF

Abstract

Abstract[(C6H5CH2C5H4)2GdCl.THF]2 (1) and (C6H5CH2C5H4)2ErCl.THF (2) were prepared by the reaction of LnCl3 (LnGd, Er) with benzylcyclopentadienyl sodium in THF and characterized by elemental analysis, IR, 1H NMR, 13C NMR, MS and thermal gravimetry. The crystal structures of both compounds were determined. Complex 1 is dimeric and its structure belongs to the monoclinic, P21/c space group with a=1.1432(2), b=1.2978(2), c=1.7604(3) nm, β=108.75(2), V=2.4732(9) nm3, Z=2(four monomers), Dc“1.54 g.cm−3. R=0.0342 and Rw“0.0362. Complex 2 is monomer and its structure belongs to the orthorhombic, P212121 space group with a=0.8645(2), b=1.1394(3), c=2.5289(4) nm, V=2.4919(9) nm3, Z=4, Dc“1.56 g.cm−3. R=0.0514, Rw“0.0529. The determination of the crystal structure shows that in complex 1 the benzyl groups on the cyclopentadienyls coordinated to Gd3+ are located in the opposite direction (139°); in complex 2 the benzyl groups on the cyclopentadienyls coordinated to Er3+ are located in the same direction (6.5°).