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Ammoniated alkali fullerides (ND3)xNaA2C60 : ammonia specific effects and superconductivity.

Margadonna, S. and Aslanis, E. and Prassides, K. (2002) 'Ammoniated alkali fullerides (ND3)xNaA2C60 : ammonia specific effects and superconductivity.', Journal of the American Chemical Society., 124 (34). pp. 10146-10156.


The crystal structure of the superconducting (ND3)xNaA2C60 (0.7 x 1, A= K, Rb) fullerides (Tc= 6-15 K) has been studied by synchrotron X-ray and neutron powder diffraction. It is face-centered cubic (fcc) to low temperatures with Na+-ND3 pairs residing in the octahedral interstices. These are disordered over the corners of two "interpenetrating" cubes with the Na+ ions and the N atoms displaced by ~2.0 Å and ~0.5 Å from the center of the site and statically disordered over the corners of the inner and outer cube, respectively. Close contacts between the D atoms of the ND3 molecules and electron rich 6:6 C-C bonds of neighboring C60 units provide the signature of weak N-D··· hydrogen-bonding interactions, which control the intermolecular packing in the crystal and may determine the unusual superconducting properties.

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Record Created:12 Apr 2007
Last Modified:09 Nov 2010 11:51

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