2-（二苯基膦）苯胺的金(I)配合物：合成及准卤苯基配体对其组装的影响

IF 3.3 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Dalton Transactions Pub Date : 2025-10-06 DOI:10.1039/d5dt01563d

Laura Coconubo-Guio, Sonia Moreno, Miguel Monge, Maria Elena Olmos, José Maria López-de-Luzuriaga

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引用次数: 0

摘要

本文介绍了一类新的含不对称P， n给体（二苯基膦）苯胺（PNH2）的准卤代苯基金(I)化合物，该化合物在单核金(I)衍生物[AuR(PNH2)] [R = C6F5 (1), C6Cl2F3 (2), C6Cl5 (3), o-C6BrF4(4)]中作为单齿P给体。虽然所有的复合物都有相同的构建模块，但研究的重点是了解这些看似相似的分子如何在晶体结构中包装不同。我们采用密度泛函理论（DFT）计算来分析导致这些不同排列的分子内和分子间相互作用。这些相互作用包括分子内的弱N-H···Au键，以及相邻分子芳香环之间的氢键或π堆积。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Gold(I) Complexes of 2-(diphenylphosphino)aniline: Synthesis and Influence of the Perhalophenyl Ligand on their Assembly

This work introduces a new family of perhalophenylgold(I) compounds containing the asymmetric P,N-donor ligand (diphenylphosphino)aniline (PNH2), which acts as monodentate P-donor ligand in the mononuclear gold(I) derivatives [AuR(PNH2)] [R = C6F5 (1), C6Cl2F3 (2), C6Cl5 (3), o-C6BrF4 (4)]. While all complexes share the same building blocks, the research focuses on understanding how these seemingly similar molecules pack differently in their crystal structures. We employ density functional theory (DFT) calculations to analyze the intra- and intermolecular interactions responsible for these distinct arrangements. These interactions include weak N-H···Au bonds within a molecule, along with hydrogen bonds or π-stacking between aromatic rings of neighboring molecules.

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来源期刊

Dalton Transactions 化学-无机化学与核化学

CiteScore

6.60

自引率

7.50%

发文量

1832

审稿时长

1.5 months

期刊介绍： Dalton Transactions is a journal for all areas of inorganic chemistry, which encompasses the organometallic, bioinorganic and materials chemistry of the elements, with applications including synthesis, catalysis, energy conversion/storage, electrical devices and medicine. Dalton Transactions welcomes high-quality, original submissions in all of these areas and more, where the advancement of knowledge in inorganic chemistry is significant.