Are neutral oxocarbons stable?

被引：19

作者：

Jiao, HJ ^{[1
]}

Wu, HS

机构：

[1] Shanxi Normal Univ, Dept Chem, Linfen 041004, Shanxi, Peoples R China

[2] Univ Rostock, Leibnitz Inst Organ Katalyse, IfOK, D-18055 Rostock, Germany

来源：

JOURNAL OF ORGANIC CHEMISTRY | 2003年 / 68卷 / 04期

关键词：

D O I：

10.1021/jo026243m

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

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.

引用

页码：1475 / 1479

页数：5

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