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T(h)-symmetrical N8(C=C)6 and P8(C=C)6; an extraordinary contrast in heterofullerene stability
R W Alder1, J N Harvey, P R Schleyer
1School of Chemistry, University of Bristol, Cantock's Close, Bristol BS8 1TS, UK. rog.alder@bris.ac.uk
Organic Letters
|October 12, 2001
Abstract:
[structure: see text]. T(h)-symmetrical P8(C=C)6, 1, is predicted to be a remarkably stable small heterofullerene with carbon atoms less pyramidal than in C60. T(h)-N8(C=C)6, 2, in sharp contrast, is strongly destabilized relative to T(h)-(HC)8(C=C)6. The causes of this extraordinarily large difference (nearly 1000 kJ x mol(-1) between 1 and 2 are explained.