Multicenter electron-sharing σ-bonding in the AgFe(CO)4− complex

Zhiling Liu; Yan Bai; Ya Li; Jing He; Qingyang Lin; Lina Hou; Hai-Shun Wu; Fuqiang Zhang; Jianfeng Jia; Hua Xie; Zichao Tang

doi:10.1039/D0DT02685A

Multicenter electron-sharing σ-bonding in the AgFe(CO)₄⁻ complex†

Zhiling Liu,

*^a Yan Bai,^a Ya Li,^a Jing He,^a Qingyang Lin,^a Lina Hou,^a Hai-Shun Wu,^a Fuqiang Zhang,^a Jianfeng Jia,

^a Hua Xie*^b and Zichao Tang*^c

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* Corresponding authors

^a School of Chemical and Material Science, Key Laboratory of Magnetic Molecules & Magnetic Information Materials, the Ministry of Education, Shanxi Normal University, No. 1, Gongyuan Street, Linfen, Shanxi 041004, China
E-mail: lzling@sxnu.edu.cn

^b State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China
E-mail: xiehua@dicp.ac.cn

^c Collaborative Innovation Center of Chemistry for Energy Materials, State Key Laboratory for Physical Chemistry of Solid Surfaces, and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, Fujian 361005, China
E-mail: zctang@xmu.edu.cn

Abstract

The heterodinuclear silver tetracarbonyl-iron anion was generated in the gas phase and studied by joint photoelectron velocity map imaging spectroscopy and quantum chemical calculations. The AgFe(CO)₄⁻ anion is characterized to be an 18-electron complex with the silver atom covalently bonded to the anionic tetracarbonyl-iron, an isolobal analogue of the methyl radical. The bonding analyses using a range of state-of-the-art quantum chemistry methods revealed a peculiar decentralized bonding situation, where the silver atom is covalently bonded to both the iron center and the vicinal carbon atoms in the form of an electron-sharing σ bond.

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Multicenter electron-sharing σ-bonding in the AgFe(CO)₄⁻ complex†

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Multicenter electron-sharing σ-bonding in the AgFe(CO)₄⁻ complex

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