物質科学における放射光粉末回折法の利活用

抄録

Structural studies using multiple powder profiles were described with two examples. An algorithm for determining the element-selective charge density is developed using multi-wavelength anomalous synchrotron X-ray powder diffraction data. The method is employed in order to resolve the disordered structure of Yttrium in Y@C₈₂(C₆H₅CH₃). Systematic structural studies of 24 different kinds of endohedral metallofullerenes, M_xC_2n(M = La, Y, Sc, Lu, Ti, Eu, Er, Hf, Sc₃N ; 34 ≤ n ≤ 43), as 1 : 1 cocrystals with solvent toluene molecules have been carried out. It is found that the volume for one fullerene and one toluene molecule depends linearly on the number of carbon atoms in the fullerene cage. The linear dependence found in the present study provides a metallofullerene diagnostics diagram that may have universal importance for structural characterization of the so-called cluster endohedral fullerenes.