首页|Could π-aromaticity cross an unsaturated system to a fully saturated one?
Could π-aromaticity cross an unsaturated system to a fully saturated one?
扫码查看
点击上方二维码区域，可以放大扫码查看
原文链接
NETL
NSTL
万方数据
The classification of π-/σ-aromaticity depends on the electrons with the dominating contributions.Tra-ditionally,π-and σ-aromaticity are used to describe the unsaturated and saturated systems,respectively.Thus,it is rarely reported that π-aromaticity is dominated in a saturated system.Here we demonstrate that π-aromaticity could be dominating in several fully saturated four-membered rings(4MRs),sup-ported by various aromaticity indices including ΔBL,NICS,EDDB,MCI,and AdNDP.The origin of suchπ-aromaticity in saturated rings could be attributed to an introduction of two additional electrons into the π-type LUMO of the parent neutral species.Our findings represent a novel approach to achieve π-aromaticity into a fully saturated system which has traditionally been dominated by σ-aromaticity.
π-AromaticitySaturated ringsSilicon
Shicheng Dong、Jun Zhu
展开 >
State Key Laboratory of Physical Chemistry of Solid Surfaces,Collaborative Innovation Center of Chemistry for Energy Materials(iChem),Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry,College of Chemistry and Chemical Engineering,Xiamen University,Xiamen 361005,China
School of Science and Engineering,The Chinese University of Hong Kong,Shenzhen 518172,China
Chinese National Natural Science FoundationUniversity Development Fund at the Chinese University of Hong Kong,Shenzhen
NETL
NSTL
万方数据
