Experimental and theoretical evidences for the formation of transition metal complexes with five coplanar metal-carbon σ bonds

Hua，Yuhui1; Luo，Ming1; Lu，Zhengyu1; Zhang，Hong2; Chen，Dafa1; Xia，Haiping1

2023-12-01

10.1093/nsr/nwad325

National Science Review   影响因子和分区

2095-5138

2053-714X

The σ bond is an important concept in chemistry, and the metal-carbon (M-C) σ bond in particular is a central feature in organometallic chemistry. Synthesis of stable complexes with five coplanar M-C σ bonds is challenging. Here, we describe the synthesis of two different types of stable complexes with five coplanar M-C σ bonds, 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-C σ bonds in these complexes have primarily a covalent character. Besides the σ nature, there are also a πconjugation component among the metal center and carbons, which causes delocalization. This work expanded the coplanar M-C σ bonds to five.

aromaticity DFT calculations M-C bond metallaaromatics polydentate ligands

EI ; SCI

英语

第一 ; 通讯

20240615501001

Density functional theory ; Metal complexes ; Organometallics ; Synthesis (chemical) ; Transition metal compounds

Metallurgy and Metallography:531 ; Chemical Reactions:802.2 ; Organic Compounds:804.1 ; Inorganic Compounds:804.2 ; Probability Theory:922.1 ; Atomic and Molecular Physics:931.3 ; Quantum Theory; Quantum Mechanics:931.4

2-s2.0-85183784965

Scopus

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

Hua，Yuhui,Luo，Ming,Lu，Zhengyu,et al. Experimental and theoretical evidences for the formation of transition metal complexes with five coplanar metal-carbon σ bonds[J]. National Science Review,2023,10(12).

Hua，Yuhui,Luo，Ming,Lu，Zhengyu,Zhang，Hong,Chen，Dafa,&Xia，Haiping.(2023).Experimental and theoretical evidences for the formation of transition metal complexes with five coplanar metal-carbon σ bonds.National Science Review,10(12).

Hua，Yuhui,et al."Experimental and theoretical evidences for the formation of transition metal complexes with five coplanar metal-carbon σ bonds".National Science Review 10.12(2023).