Could π-aromaticity cross an unsaturated system to a fully saturated one?  

作　　者：Shicheng Dong Jun Zhu 

机构地区：[1]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 [2]School of Science and Engineering,The Chinese University of Hong Kong,Shenzhen 518172,China

出　　处：《Chinese Chemical Letters》2024年第6期298-302,共5页中国化学快报（英文版）

基　　金：financial support from the Chinese National Natural Science Foundation(No.22231009);the University Development Fund at the Chinese University of Hong Kong,Shenzhen(No.UDF01003116)。

摘　　要：The classification of π-/σ-aromaticity depends on the electrons with the dominating contributions.Traditionally,π-andσ-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),supported by various aromaticity indices including ΔBL,NICS,EDDB,MCI,and Ad NDP.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.

关 键 词：π-Aromaticity Saturated rings Silicon 

分 类 号：O625[理学—有机化学]