Isolation of C60(CF3)n (n = 2, 4, 6, 8, 10) with high compositional purity |
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| Authors: | Alexey A Goryunkov Igor V Kuvychko Donald L Dick Steven H Strauss Olga V Boltalina |
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| Institution: | a Chemistry Department, Moscow State University, Moscow 119899, Russia
b Department of Chemistry, Colorado State University, Fort Collins, CO 80523, USA |
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| Abstract: | The high temperature reaction of C60 with silver(I) trifluoroacetate followed by 500 °C sublimation and subsequent HPLC purification has led to the isolation of the five trifluoromethyl60]fullerenes C60(CF3)n (n=2, 4, 6, 8, 10). Four of them have >90% compositional purity. Two of the compounds, C60(CF3)4 and C60(CF3)6, were obtained as C1-symmetry isomers with >90% isomeric purity, and a sample of C60(CF3)2 also contained ca. 15-20% of a Cs-symmetry isomer of C60(CF3)4. The new compounds were characterized by IR and EI mass spectrometry (all five compounds),  NMR spectroscopy (C60(CF3)2, C60(CF3)4, and C60(CF3)6), and 2D COSY  NMR spectroscopy (C60(CF3)4 and C60(CF3)6). Calculations at the AM1 and DFT levels of theory have led to the prediction of the most likely structures for C60(CF3)2, C1-C60(CF3)4, Cs-C60(CF3)4, and the two most likely structures of C1-C60(CF3)6. |
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| Keywords: | Fullerene Trifluoromethyl _method=retrieve& _eid=1-s2 0-S0022113903001738& _mathId=si6 gif& _pii=S0022113903001738& _issn=00221139& _acct=C000069490& _version=1& _userid=6211566& md5=2a5c305451d8ab4829213c234b209780')" style="cursor:pointer  " alt="Click to view the MathML source" title="Click to view the MathML source"> els-cdn com/content/image/1-s2 0-S0022113903001738-si6 NMR" target="_blank">gif"> NMR Mass spectrometry |
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