Experimental and theoretical evidences for the formation of transition metal complexes with five coplanar metal-carbonσbonds  

作　　者：Yuhui Hua Ming Luo Zhengyu Lu Hong Zhang Dafa Chen Haiping Xia 

机构地区：[1]Shenzhen Grubbs Institute and Guangdong Provincial Key Laboratory of Catalysis,Department of Chemistry,Southern University of Science and Technology,Shenzhen 518055,China [2]Department of Chemistry,College of Chemistry and Chemical Engineering,Xiamen University,Xiamen 361005,China

出　　处：《National Science Review》2023年第12期168-174,共7页国家科学评论（英文版）

基　　金：supported by the National Natural Science Foundation of China(21931002,92156021,22071098 and 22101123);Shenzhen Science and Technology Innovation Committee(JCYJ20200109140812302 and JCYJ20210324105013035);Guangdong Provincial Key Laboratory of Catalysis(2020B121201002);Guangdong Grants(2021ZT09C064);Introduction of Major Talent Projects in Guangdong Province(2019CX01C079);Financial Support for Outstanding Talents Training Fund in Shenzhen。

摘　　要：Theσbond is an important concept in chemistry,and the metal-carbon(M-C)σbond in particular is a central feature in organometallic chemistry.Synthesis of stable complexes with five coplanar M-Cσbonds is challenging.Here,we describe the synthesis of two different types of stable complexes with five coplanar M-Cσbonds,and examine the stability of such complexes which use rigid conjugated carbon chains to chelate with the metal center.Density functional theory(DFT)calculations show that the M-Cσbonds in these complexes have primarily a covalent character.Besides theσnature,there are also aπconjugation component among the metal center and carbons,which causes delocalization.This work expanded the coplanar M-Cσbonds to five.

关 键 词：M-C bond polydentate ligands metallaaromatics DFT calculations AROMATICITY 

分 类 号：O641.4[理学—物理化学]