8-Dioxane ferra(III) bis(dicarbollide): A paramagnetic functional molecule as versatile building block for introduction of a Fe(III) centre into organic molecules

Abstract

The synthesis of a new, paramagnetic closo-[(8-(-CH 2CH 2O) 2-1,2-C 2B 9H 10)(1′,2′-C 2B 9H 11)-3,3′-Fe] 0 ( 3) is reported. This compound can serve as a versatile building block for construction of both anionic and zwitterionic derivatives, as exemplified by the synthesis of a series of compounds of general formula closo-[(8-X-(CH 2CH 2O) 2-1,2-C 2B 9H 10)(1′,2′-C 2B 9H 11)-3,3′-Fe], bearing organic end groups (X = NC 5H 5 ( 4), (C 6H 5) 3P ( 5), OH ( 6), and 2-O(1-CH 3O–C 6H 4) ( 7)) attached to the cluster by a diethyleneglycol spacer. Molecular structures of 3, 4, 5 and 7 were determined by single-crystal X-ray diffraction analysis and by the long-time neglected method of paramagnetic, high field NMR ( 1H, 13C and 11B) spectroscopy.