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具有铍-铁键合的BeFe(CO)阴离子的形成与表征。

Formation and Characterization of BeFe(CO) Anion with Beryllium-Iron Bonding.

作者信息

Wang Guanjun, Zhao Jing, Hu Han-Shi, Li Jun, Zhou Mingfei

机构信息

Collaborative Innovation Center of Chemistry for Energy Materials, Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai, 200438, China.

Department of Chemistry & Key Laboratory of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Tsinghua University, Beijing, 100084, China.

出版信息

Angew Chem Int Ed Engl. 2021 Apr 19;60(17):9334-9338. doi: 10.1002/anie.202015760. Epub 2021 Mar 10.

Abstract

Heteronuclear BeFe(CO) anion complex is generated in the gas phase, which is detected by mass-selected infrared photodissociation spectroscopy in the carbonyl stretching frequency region. The complex is characterized to have a Be-Fe bonded Be-Fe(CO) structure with C symmetry and all of the four carbonyl ligands bonded on the iron center. Quantum chemical studies indicate that the complex has a quite short Be-Fe bond. Besides one electron-sharing σ bond, there are two additional, albeit weak, Be ← Fe(CO) dative π bonding interactions. The findings imply that metal-metal bonding between s-block and transition metals is viable under suitable coordination environment.

摘要

异核BeFe(CO) 阴离子络合物在气相中生成,通过羰基伸缩频率区域的质量选择红外光解离光谱进行检测。该络合物的特征是具有一个Be-Fe键合的Be-Fe(CO) 结构,具有C对称性,且所有四个羰基配体都键合在铁中心上。量子化学研究表明,该络合物的Be-Fe键相当短。除了一个电子共享的σ键外,还有另外两个虽然较弱但Be ← Fe(CO) 给体π键相互作用。这些发现表明,在合适的配位环境下,s区金属与过渡金属之间的金属-金属键是可行的。

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