1143
Structure Analysis of C60(CF3)10 Isomers
Monday, May 12, 2014: 10:40
Bonnet Creek Ballroom IX, Lobby Level (Hilton Orlando Bonnet Creek)
E. V. Bukovsky, B. Larson, S. H. Strauss, O. Boltalina (Colorado State University), and A. A. Popov (Leibniz Institute for Solid State and Materials Research Department of Electrochemistry and Conducting Polymers, Dresden)
The molecular structures and solid state packing of molecules are crucial to the performance of organic electronic materials, in devices, in terms of charge mobility in the solid state, charge transfer at interfaces, and electrochemical stability. Few studies have been able to compare such a large number of C
60X
n isomers to ascertain the effects that addition patterns have on physiochemical properties of molecules and domains of molecules. We have now synthesized and characterized 27 isomers of C
60(CF
3)
10, including 11 by single crystal X-ray crystallography, six of these are reported for the first time. This represents the greatest number of fullerene or fullerene derivatives/isomers of any kind that have been structurally characterized. Our primary interest in this particular series of fullerene isomers is their variation in reduction potentials and electron affinities that stem from their respective addition patterns since all isomers have the same number of electron withdrawing CF
3 groups. Correlations between molecular structure, packing efficiency (density), and electronic properties will be discussed.
References
1. I. E. Kareev; S. F. Lebedkin; S. M. Miller; O. P. Anderson; S. H. Strauss; O. V. Boltalina, Acta Cryst., E62, o1498 (2006).
2. A. A. Popov; I. E. Kareev; N. B. Shustova; E. B. Stukalin; S. F. Lebedkin; K. Seppelt; S. H. Strauss; O. V. Boltalina; L. Dunsch, J. Am. Chem. Soc., 129, 11551 (2007).
3. I. E. Kareev; S. F. Lebedkin; A. A. Popov; S. M. Miller; O. P. Anderson; S. H. Strauss; O. V. Boltalina, Acta Cryst. E62, o1501, (2006).
4. N. B. Shustova,; D. V. Peryshkov; A. A. Popov; O. V. Boltalina; S. H. Strauss, Acta Cryst. E63, o3129 (2007).
5. I. E. Kareev; A. A. Popov; I. V. Kuvychko; N. B. Shustova; S. F. Lebedkin; V. P. Bubnov; O. P. Anderson; K. Seppelt; S. H. Strauss; O. V. Boltalina, J. Am. Chem. Soc., 130, 13471 (2008).
6. B. W. Larson; E.V. Bukovsky; I. V. Kuvychko; Y. Chen; A. A. Popov; O. V. Boltalina; S. H. Strauss, Manuscript in progress
