Zuo, Tianming and Xu, Liaosa and Beavers, Christine M. and Olmstead, Marilyn M. and Fu, Wujun and Crawford, T. Daniel and Balch, Alan L. and Dorn, Harry C. (2008) M2@C79N (M = Y, Tb): isolation and characterization of stable endohedral metallofullerenes exhibiting M-M bonding interactions inside azafullerene cages. Journal of the American Chemical Society, 130 (39). pp. 12992-7. ISSN 1520-5126
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Official URL: http://pubs.acs.org/doi/full/10.1021/ja802417d
Y2@C79N and Tb2@C79N have been prepared by conducting the Kratschmer-Huffman electric-arc process under 20 Torr of N2 and 280 Torr of He with metal oxide-doped graphite rods. These new heterofullerenes were separated from the resulting mixture of empty cage fullerenes and endohedral fullerenes by chemical separation and a two-stage chromatographic process. Crystallographic data for Tb2@C79N x Ni(OEP) x 2 C6H6 demonstrate the presence of an 80-atom cage with idealized I(h) symmetry and two, widely separated Tb atoms inside with a Tb-Tb separation of 3.9020(10) A for the major terbium sites. The EPR spectrum of the odd-electron Y2@C79N indicates that the spin density largely resides on the two equivalent yttrium ions. Computational studies on Y2@C79N suggest that the nitrogen atom resides at a 665 ring junction in the equator on the fullerene cage and that the unpaired electron is localized in a bonding orbital between the two yttrium ions of this stable radical. Thus, the Tb-Tb bond length of the single-electron bond is an exceedingly long metal-metal bond.
|Subjects:||Physical Science > Nanophysics|
|Deposited By:||Lesley Tobin|
|Deposited On:||06 Jan 2009 16:22|
|Last Modified:||12 Feb 2009 14:13|
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