Structural determination of the hydrofullerene C60D36 by neutron diffraction

被引：13

作者：

Hall, LE ^{[1
]}

McKenzie, DR

Davis, RL

Attalla, MI

Vassallo, AM

机构：

[1] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia

[2] Australian Inst Nucl Sci & Engn, Menai, NSW 2234, Australia

[3] CSIRO, Div Coal & Energy Technol, N Ryde, NSW 2113, Australia

来源：

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE | 1998年 / 54卷

关键词：

D O I：

10.1107/S0108768198000093

中图分类号：

O6 [化学];

学科分类号：

0703 ;

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].

引用

页码：345 / 350

页数：6

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