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二维分子合金Ru-M（M = Cu、Ag和Au）羰基簇合物：合成、分子结构、催化及计算研究

2-D Molecular Alloy Ru-M (M = Cu, Ag, and Au) Carbonyl Clusters: Synthesis, Molecular Structure, Catalysis, and Computational Studies.

作者信息

Cesari Cristiana, Bortoluzzi Marco, Forti Francesca, Gubbels Lisa, Femoni Cristina, Iapalucci Maria Carmela, Zacchini Stefano

机构信息

Dipartimento di Chimica Industriale "Toso Montanari", Università di Bologna, Viale Risorgimento 4, 40136 Bologna, Italy.

Center for Chemical Catalysis─C3, University of Bologna, Viale Risorgimento 4, 40136 Bologna, Italy.

出版信息

Inorg Chem. 2022 Sep 19;61(37):14726-14741. doi: 10.1021/acs.inorgchem.2c02099. Epub 2022 Sep 7.

DOI:10.1021/acs.inorgchem.2c02099
PMID:36069711
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9490753/
Abstract

The reactions of [HRu(CO)] () with M(I) (M = Cu, Ag, and Au) compounds such as [Cu(CHCN)][BF], AgNO, and Au(EtS)Cl afford the 2-D molecular alloy clusters [CuRu(CO)] (), [AgRu(CO)] (), and [AuRu(CO)] (), respectively. The reactions of with PPh result in mixtures of products, among which [CuRu(CO)] (), Ru(CO)(CuPPh) (), Ru(CO)(AgPPh) (), Ru(CO)(PPh) (), and HRu(OH)(CO)(PPh) () have been isolated and characterized. The molecular structures of and have been determined by single-crystal X-ray diffraction. The metal-metal bonding within has been computationally investigated by density functional theory methods. In addition, the [NEt] salts of have been tested as catalyst precursors for transfer hydrogenation on the model substrate 4-fluoroacetophenone using PrOH as a solvent and a hydrogen source.

摘要

[HRu(CO)]（）与M(I)（M = Cu、Ag和Au）化合物，如[Cu(CHCN)][BF]、AgNO和Au(EtS)Cl反应，分别得到二维分子合金簇[CuRu(CO)]（）、[AgRu(CO)]（）和[AuRu(CO)]（）。与PPh反应生成产物混合物，其中[CuRu(CO)]（）、Ru(CO)(CuPPh)（）、Ru(CO)(AgPPh)（）、Ru(CO)(PPh)（）和HRu(OH)(CO)(PPh)（）已被分离和表征。和的分子结构已通过单晶X射线衍射确定。已通过密度泛函理论方法对中的金属-金属键进行了计算研究。此外，已测试作为转移氢化的催化剂前体，以PrOH作为溶剂和氢源，在模型底物4-氟苯乙酮上进行反应。

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