Hua Yuhui, Luo Ming, Lu Zhengyu, Zhang Hong, Chen Dafa, Xia Haiping
Shenzhen Grubbs Institute and Guangdong Provincial Key Laboratory of Catalysis, Department of Chemistry, Southern University of Science and Technology, Shenzhen 518055, China.
Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China.
Natl Sci Rev. 2023 Dec 20;10(12):nwad325. doi: 10.1093/nsr/nwad325. eCollection 2023 Dec.
The bond is an important concept in chemistry, and the metal-carbon (M-C) bond in particular is a central feature in organometallic chemistry. Synthesis of stable complexes with five coplanar M-C bonds is challenging. Here, we describe the synthesis of two different types of stable complexes with five coplanar M-C 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 bonds in these complexes have primarily a covalent character. Besides the nature, there are also a conjugation component among the metal center and carbons, which causes delocalization. This work expanded the coplanar M-C bonds to five.
键是化学中的一个重要概念，尤其是金属 - 碳（M - C）键是有机金属化学的核心特征。合成具有五个共面M - C键的稳定配合物具有挑战性。在此，我们描述了两种不同类型的具有五个共面M - C键的稳定配合物的合成，并研究了此类使用刚性共轭碳链与金属中心螯合的配合物的稳定性。密度泛函理论（DFT）计算表明，这些配合物中的M - C键主要具有共价性质。除了这种性质外，金属中心和碳之间还存在共轭成分，这导致了离域。这项工作将共面M - C键扩展到了五个。
