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

作     者：Shicheng Dong Jun Zhu Shicheng Dong;Jun Zhu

作者机构：State Key Laboratory of Physical Chemistry of Solid SurfacesCollaborative Innovation Center of Chemistry for Energy Materials(iChem)Fujian Provincial Key Laboratory of Theoretical and Computational ChemistryCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China School of Science and EngineeringThe Chinese University of Hong KongShenzhen 518172China 

出 版 物：《Chinese Chemical Letters》 (中国化学快报（英文版）)

年 卷 期：2024年第35卷第6期

页      面：298-302页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 

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) 

主　　题：π-Aromaticity Saturated rings Silicon 

摘      要：The classification of π-/σ-aromaticity depends on the electrons with the dominating ***,π-andσ-aromaticity are used to describe the unsaturated and saturated systems,***,it is rarely reported that π-aromaticity is dominated in a saturated *** 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 *** 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 *** findings represent a novel approach to achieve π-aromaticity into a fully saturated system which has traditionally been dominated by σ-aromaticity.