The structure of hydrogenated fullerene (C60H36)

Autor:	Anthony M. Vassallo, J. B. Dunlop, R. L. Davis, David R. McKenzie, David J. H. Cockayne, L. E. Hall, Moetaz I. Attalla
Rok vydání:	1993
Předmět:	Diffraction Crystallography Fullerene Electron diffraction Chemistry X-ray crystallography General Engineering Resonance Infrared spectroscopy Crystal structure Physical and Theoretical Chemistry Spectroscopy
Zdroj:	The Journal of Physical Chemistry. 97:5741-5744
ISSN:	1541-5740 0022-3654
DOI:	10.1021/j100123a046
Popis:	Electron and X-ray diffraction techniques have been used to study the structure of polycrystalline C[sub 60]H[sub 36] with 10-15% C[sub 70]H[sub 36]. X-ray diffraction has shown that the molecular packing is body-centered cubic. Electron diffraction data were converted to a reduced density function by Fourier transformation. Comparison of the reduced density functions for three molecular models shows that C[sub 60]H[sub 36] is best described by a structure having D[sub 3d] symmetry. These results are consistent with recent solid-state [sup 13]C nuclear magnetic resonance and infrared spectroscopy studies. The D[sub 3d] structure has an oblate spheroidal shape for which we show body-centered cubic packing to be more efficient than the face-centered cubic packing of C[sub 60]. 10 refs., 6 figs., 2 tab.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::4b1eb3989b757f81c98a7352fc9cedc0 https://doi.org/10.1021/j100123a046 Zobrazit plný text záznamu