[ACIE] 我室谢素原教授发表论文:Double Negatively Curved C70 Growth through a Heptagon‐Involving Road

发布日期:2019年06月26日   浏览次数:

我室谢素原教授在 ACIE 上发表论文:Double Negatively Curved C70 Growth through a Heptagon‐Involving Road

文章链接:https://onlinelibrary.wiley.com/doi/10.1002/anie.201902154

摘要:

All previously reported C70 isomers have positive curvature and contain 12 pentagons in addition to hexagons. Here, we report a new C70 species with 2 negatively curved moieties of heptagons and 14 pentagons. This unconventional heptafullerene[70] containing two symmetric heptagons, referred to dihept‐C70, grows in the carbon arc by a theoretically supported heptagon‐involved pathway in which the carbon cluster of a previously reported C66 undergo successive C2 insertion via a known heptafullerene[68] (hept‐C68) intermediate with low energy barriers. As identified by X‐ray crystallography, the occurrence of heptagon facilitates a reduction in the angle of the π‐orbital axis vector in the fused pentagons to stabilize the dihept‐C70. Chlorination at the intersection of a heptagon and two adjacent pentagons can greatly enlarge the HOMO‐LUMO gap, which makes dihept‐C70Cl6 isolable through chromatography. The retrieve of dihept‐C70Cl6 offers precious clues to understanding the fullerene formation mechanism in the carbon‐clustering process.