C70Br10 ist das stabilste Produkt der Bromierung von C70, sowohl in reinem Brom als auch in o‐Dichlorbenzol. Die zehn Bromatome (orange) sind – in Übereinstimmung mit quantenchemischen Rechnungen – zu einem Ring im äquatorialen Bereich des C70‐Moleküls angeordnet (siehe Bild). Benachbarte Bromatome sind in neun Paaren in 1,4‐Position, in einem in 1,2‐Position zueinander orientiert.
The regioselective fluorination of Th-C60Br24 with XeF2 in anhydrous HF at 25 degrees C produced Th-C60F24, which is isostructural with Th-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 delta -144 for all 24 F atoms), 13C NMR (two resonances at delta 145.9 (C=C) and delta 83.5 (C-F; JCF = 212 Hz), and FTIR spectroscopy. DFT calculations revealed that at least two other isomers of C60F24 are more stable than Th-C60F24 by >/=280 kJ mol-1, demonstrating that Th-C60F24 is a kinetically stable fluorofullerene.
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