Gold(I) Chloride Complexes with 4-Halo-Substituted Phenyl Isocyanide Ligands

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2024-05-08 DOI:10.1134/S1070328423600596

G. A. Gavrilov, K. N. Davletbaeva, M. A. Kinzhalov

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Abstract

A series of gold(I) monoisocyanide [AuCl(CNC₆H₄-4-X)] (X = Cl (IIa), Br (IIb), I (IIc) and bis-isocyanide [Au(CNC₆H₄-4-X)₂](PF₆) (X = Cl (IIIa), Br (IIIb), I (IIIc) complexes were prepared by the reaction of [AuCl(Tht)] (Tht = tetrahydrothiophene) with the specified isocyanide. The molecular structure of IIa–IIc was established by X-ray diffraction (CCDC no. 2253450 (IIa), 2253447 (IIb), 2253448 (IIc)). The crystals of IIb and IIc are isostructural; they were found to have several types of intermolecular interactions, particularly, C–X⋯Cl–Au halogen bonds, π-hole (C_CNR)···\(~{{d}_{{{{z}^{2}}}}}\)(Au) interactions, and Au⋯Au aurophilic contacts, which form together a two-layer 2D supramolecular polymer. The crystals of IIb, IIc and IIIa, IIIb exhibit phosphorescence at room temperature; compounds IIa and IIIc do not possess luminescent properties; and mechanical grinding of IIa‒IIc and IIIa‒IIIc powders does not change the photophysical properties.

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具有 4-卤代苯基异氰酸配体的氯化金(I)配合物

摘要通过[AuCl(Tht)]（Tht = 四氢噻吩）与指定的异氰酸酯反应，制备了一系列金（I）单异氰酸酯[AuCl(CNC6H4-4-X)]（X = Cl (IIa)、Br (IIb)、I (IIc)）和双异氰酸酯[Au(CNC6H4-4-X)2](PF6)（X = Cl (IIIa)、Br (IIIb)、I (IIIc)）配合物。通过 X 射线衍射确定了 IIa-IIc 的分子结构（CCDC 编号：2253450 (IIa)、2253447 (IIb)、2253448 (IIc)）。发现 IIb 和 IIc 的晶体具有多种分子间相互作用，特别是 C-X⋯Cl-Au 卤素键、π-孔 (CCNR)---(~{{d}_{{{{z}^{2}}}}}\)(Au) 相互作用和 Au⋯Au 亲水接触，共同形成了双层二维超分子聚合物。IIb、IIc和IIIa、IIIb的晶体在室温下显示磷光；IIa和IIIc化合物不具有发光特性；对IIa-IIc和IIIa-IIIc粉末进行机械研磨不会改变其光物理性质。

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来源期刊

Accounts of Chemical Research 化学-化学综合

CiteScore

31.40

自引率

1.10%

发文量

312

审稿时长

2 months

期刊介绍： Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.