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以阴离子金作为镍羰基配合物的供体配体的异双核金镍羰基配合物(n = 2 - 3)

Heterodinuclear AuNi(CO) ( = 2-3) Complexes Featuring an Anionic Au as a Donor Ligand for Ni(CO).

作者信息

Liu Zhiling, Zhao Jikang, Yang Yufeng, Yan Yonghong, Yao Xiaoyue, Jiao Jingmei, Zhang Fuqiang, Jia Jianfeng, Li Ya

机构信息

School of Chemical and Material Science, Key Laboratory of Magnetic Molecules & Magnetic Information Materials, the Ministry of Education, Shanxi Normal University. No. 339, Taiyu Road, Taiyuan, Shanxi 030031, People's Republic of China.

School of Geographical Sciences, Shanxi Normal University. No. 339, Taiyu Road, Taiyuan, Shanxi 030031, People's Republic of China.

出版信息

J Phys Chem A. 2024 Aug 22;128(33):6917-6926. doi: 10.1021/acs.jpca.4c03782. Epub 2024 Aug 12.

DOI:10.1021/acs.jpca.4c03782
PMID:39133664
Abstract

The gas-phase heterodinuclear gold-nickel carbonyl AuNi(CO) ( = 2-3) anion complexes were mass-selected and studied by using photoelectron velocity-map imaging spectroscopy in combination with quantum-chemical calculations, which can establish both the geometries and electronic structures of these anions. These complexes are all confirmed to be singlet ground states with one gold atom bonded at the central nickel atom of the Ni(CO) moieties. Further bonding analyses indicate that unlike the alkali-metals as covalently bonded ligands to form the electron-sharing alkali-metal-nickel bonding in the alkali-metal-nickel carbonyl anionic complexes, the Au atom in the AuNi(CO) complexes serves as a datively bound ligand for Ni(CO) to form gold-to-nickel dative bonding.

摘要

通过使用光电子速度成像光谱结合量子化学计算,对气相异双核金 - 镍羰基阴离子配合物AuNi(CO) ( = 2 - 3)进行了质量选择和研究,这可以确定这些阴离子的几何结构和电子结构。这些配合物均被确认为单重基态,其中一个金原子键合在Ni(CO)部分的中心镍原子上。进一步的键合分析表明,与碱金属作为共价键合配体在碱金属 - 镍羰基阴离子配合物中形成电子共享的碱金属 - 镍键不同,AuNi(CO)配合物中的Au原子作为Ni(CO)的配位键合配体,形成金到镍的配位键。

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