STRUCTURAL DETERMINATION OF THE HYDROFULLERENE C60D36 BY NEUTRON-DIFFRACTION

A mixture of C60D36 With 24.5 +/- 4.5% C-60 by weight has been analyse d by neutron diffraction techniques. The diffraction data was converte d to a reduced density function G(r) by Fourier transformation. The C6 0 component of the G(r) was subtracted out. This enabled a comparison for five molecular models of C60D36, With symmetries T, T-h, S-6 and t wo D-3d isomers, with the experimental G(r). This specimen of C60D36 w as found to be best described by a T symmetry isomer, in agreement wit h C-13 NMR and IR data for C60H36 [Attalla et al. (1993). J. Phys. Che m. pp. 6329-6331].