Structural determination of the hydrofullerene C60D36 by neutron diffraction

摘要

A mixture of C60D36 With 24.5 +/- 4.5% C-60 by weight has been analysed by neutron diffraction techniques. The diffraction data was converted to a reduced density function G(r) by Fourier transformation. The C60 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 two D-3d isomers, with the experimental G(r). This specimen of C60D36 was found to be best described by a T symmetry isomer, in agreement with C-13 NMR and IR data for C60H36 [Attalla et al. (1993). J. Phys. Chem. pp. 6329-6331]. [References: 17]