科研之友
微信
新浪微博
Facebook
分享链接
摘要
A set of novel oligomeric polycyclic neutral oxocarbons has been computed at the B3LYP level of density functional theory. On the basis of the calculated dissociation enthalpies, the most stable structures are C9O9 and C12O12 with benzene-like central ring, in agreement with the experimental finding, and the enhanced stability is due to their aromaticity. Several other oxocarbons also have been identified as stable and are targets for further experimental investigations.
- 出版日期2003-2-21
- 单位山西师范大学
