✦ LIBER ✦
C20: fullerene, bowl or ring? New results from coupled-cluster calculations
✍ Scribed by Peter R. Taylor; Eric Bylaska; John H. Weare; Ryoichi Kawai
- Book ID
- 103031291
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 462 KB
- Volume
- 235
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Contrary to recent experimental evidence suggesting that the monoeyclic ring is the most stable 20-atom carbon species, highly accurate calculations convincingly predict that the smallest fullerene, dodecahedral C20, has the lowest energy. A related corannulene-like bowl is nearly degenerate in energy to the fullerene. Thermodynamic considerations suggest that at ~'c,rnation temperatures of around 700 K the bowl should be the dominant species.