C28: the smallest stable fullerene?

✍ Scribed by Jan M.L. Martin

• Book ID: 103035591
• Publisher: Elsevier Science
• Year: 1996
• Tongue: English
• Weight: 444 KB
• Volume: 255
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(96)00354-5

✦ Synopsis

The relative energies of different structures of C28 have been studied by density functional theory using different exchangecorrelation functionals, including two with exact exchange contributions. A fullerene structure with Td symmetry (5A2 state) is found to be by far the most stable structure, followed at 4-6 eV by a graphite sheet fragment and at 5-7 eV by a C14h ring. Other structures lie still higher in energy. An infrared spectrum of fingerprint quality has been computed for the fullerene and should enable its experimental identification.