T h -C60F24

The regioselective fluorination of T h -C60Br24 with XeF2 in anhydrous HF at 25 °C produced T h -C60F24, which is isostructural with T h -C60Br24. The compound, the first example of a fluorofullerene with a noncontiguous pattern of F-bearing sp3 C atoms, was characterized by EI and ESI mass spectrom...

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Published in:Journal of the American Chemical Society 2004-02, Vol.126 (6), p.1618-1619
Main Authors: Denisenko, Nadezhda I., Troyanov, Sergey I., Popov, Alexey A., Kuvychko, Igor V., Žemva, Boris, Kemnitz, Erhard, Strauss, Steven H., Boltalina, Olga V.
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container_issue 6
container_start_page 1618
container_title Journal of the American Chemical Society
container_volume 126
creator Denisenko, Nadezhda I.
Troyanov, Sergey I.
Popov, Alexey A.
Kuvychko, Igor V.
Žemva, Boris
Kemnitz, Erhard
Strauss, Steven H.
Boltalina, Olga V.
description The regioselective fluorination of T h -C60Br24 with XeF2 in anhydrous HF at 25 °C produced T h -C60F24, which is isostructural with T h -C60Br24. The compound, the first example of a fluorofullerene with a noncontiguous pattern of F-bearing sp3 C atoms, was characterized by EI and ESI mass spectrometry and by 19F NMR (single resonance at δ −144 for all 24 F atoms), 13C NMR (two resonances at δ 145.9 (CC) and δ 83.5 (C−F; J CF = 212 Hz), and FTIR spectroscopy. DFT calculations revealed that at least two other isomers of C60F24 are more stable than T h -C60F24 by ≥280 kJ mol-1, demonstrating that T h -C60F24 is a kinetically stable fluorofullerene.
doi_str_mv 10.1021/ja039361f
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title T h -C60F24
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