Inorganic Chemistry, Vol.53, No.13, 6850-6855, 2014
Formation of Hexagonal Fullerene Layers from Neutral and Negatively Charged Fullerenes in {(Ph3P)(3)Au+}(2)(C-60(center dot-))(2)(C-60)center dot C6H4Cl2 Containing Gold Cations with the C-3v Symmetry
Fullerene salt {(Ph3P)(3)Au+}(2)(C-60(center dot-))(2)(C-60)center dot C6H4Cl2 (1) containing (Ph3P)(3)Au+ cations with the C-3v symmetry has been obtained as single crystals. Hexagonal corrugated fullerene layers formed in 1 alternate with the layers consisting of (Ph3P)(3)Au+ and C6H4Cl2 along the c axis. According to IR spectra and peculiarities of the crystal structure, the charge on fullerenes in the layers is evaluated to be -1 for two and close to zero for one C-60. These fullerenes have different cationic surroundings, and positively charged gold atoms approach closer to C-60(center dot-). Charged and neutral fullerenes are closely packed within hexagonal layers with an interfullerene center-to-center distance of 10.02 angstrom and multiple short van der Waals C center dot center dot center dot C contacts. The distances between C-60(center dot-) are essentially longer with an interfullerene center-to-center distance of 10.37 angstrom due to corrugation of the layers, and no van der Waals contacts are formed in this case. As a result, each C-60(center dot-) has only three negatively charged fullerene neighbors with rather long interfullerene distances providing only weak antiferromagnetic interaction of spins in the fullerene layers with a Weiss temperature of -5 K.