T-h-symmetrical N-8(C=C)(6) and P-8(C=C)(6); an extraordinary contrast in heterofullerene stability

Authors
Alder, RW Harvey, JN Schleyer, PV Moran, D
Citation
Rw. Alder et al., T-h-symmetrical N-8(C=C)(6) and P-8(C=C)(6); an extraordinary contrast in heterofullerene stability, ORG LETT, 3(21), 2001, pp. 3233-3236
Citations number
23
Categorie Soggetti
Organic Chemistry/Polymer Science
Journal title
ORGANIC LETTERS
ISSN journal
15237060 → ACNP
Volume
3
Issue
21
Year of publication
2001
Pages
3233 - 3236
Database
ISI
SICI code
1523-7060(20011018)3:21<3233:TNAPAE>2.0.ZU;2-7
Abstract
[GRAPHICS] T-h-symmetrical P-8(C=C)(6), 1, is predicted to be a remarkably stable smal l heterofullerene with carbon atoms less pyramidal than in C-60. (ThN8)-N-. (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 (nearl y 1000 kJ mol(-1)) between 1 and 2 are explained.