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

✍ Scribed by Xia Ju-Song; Jin Zhong-Sheng; Chen Wen-Qi

• Publisher: John Wiley and Sons
• Year: 2010
• Tongue: English
• Weight: 515 KB
• Volume: 14
• Category: Article
• ISSN: 0256-7660
• DOI: 10.1002/cjoc.19960140107

✦ Synopsis

CeH5CHzCsH4)2GdCl.THF]2 (1) and ( C ~H ~C H Z C ~H ~) ~E ~C I . T H F

(2) were prepared by the reaction of LnC13 ( Ln=Gd, Er) with benzylcyclopentadienyl sodium in THF and characterized by elemental analysis, IR, 'H 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, @=108.75(2), V=2.4732(9) nmS, 2=2(four monomers), Dc=1.54 g . ~m -~. R=0.0342 and &=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, 2=4, Dc=1.56 g ~m -~. R=0.0514, R,=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 ( 1 3 9 O ) ; in complex 2 the benzyl groups on the cyclopentadienyls coordinated to Er3+ are located in the same direction (6.5').