Towards the routine application of computing system Jana2000
M. Dušek, Václav Petříček · Acta Crystallographica Section A Foundations of Crystallography · 2005
Various types of endohedral fullerene complexes are known to date.However the metallofullerenes are generally produced by arcdischarge method, but the use of such extremely drastic conditions is apparently not suitable for encapsulation of unstable molecules or gases.We recently succeeded in incorporation of a H 2 molecule in 100% into a derivative of an open-cage C60 [1].In order to observe the endohedral H 2 molecule directly, the X-ray diffraction analysis using synchrotron radiation were carried out.We observed a single H 2 molecule encapsulated in fullerene cage using structure analysis and maximum entropy method [2].This H 2 molecule is floating inside of the hollow cavity and considered to be completely isolated from the outside (Fig. 1).Fig.1.The MEM electronic density distributions of H2 endohedral opencage C60.