具有近线性 Al3 轴的离散试样

IF 14.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Journal of the American Chemical Society Pub Date : 2024-11-26 DOI:10.1021/jacs.4c10967
Debabrata Dhara, Lukas Endres, Aritra Roy, Rian D. Dewhurst, Rüdiger Bertermann, Felipe Fantuzzi, Holger Braunschweig
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引用次数: 0

摘要

铝中固有的电子不饱和性主要导致铝簇的形成,而含有离散铝原子链的化合物却很少存在。在这项研究中,我们成功合成了一种非常不寻常的试烷化合物,并对其结构进行了鉴定,该试烷化合物具有由三个铝原子组成的近线性链,同时还具有碳稳定铝阴离子([LAlR2]-),这是一种通过改变反应条件产生的替代产物。我们运用量子化学计算阐明了这些新型化合物的电子结构和键合。此外,我们还成功捕获了一个使用炔烃的反应中间体,这表明中间存在碱稳定的单体铝烯(LRAl:),我们也通过计算方法对其进行了研究。
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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A Discrete Trialane with a Near-Linear Al3 Axis
The presence of inherent electronic unsaturation in aluminum predominantly results in the formation of aluminum clusters, with very few examples of compounds containing discrete chains of aluminum atoms in existence. In this work, we present the successful synthesis and structural authentication of a highly unusual trialane species with a near-linear chain of three Al atoms, alongside a carbene-stabilized aluminyl anion ([LAlR2]), an alternative product produced by varying the reaction conditions. Quantum-chemical calculations have been applied to elucidate the electronic structure and bonding of these novel compounds. Additionally, we successfully trapped a reaction intermediate using an alkyne, suggesting the intermediacy of a base-stabilized monomeric alumylene (LRAl:), which is also investigated through computational methods.
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来源期刊
CiteScore
24.40
自引率
6.00%
发文量
2398
审稿时长
1.6 months
期刊介绍: The flagship journal of the American Chemical Society, known as the Journal of the American Chemical Society (JACS), has been a prestigious publication since its establishment in 1879. It holds a preeminent position in the field of chemistry and related interdisciplinary sciences. JACS is committed to disseminating cutting-edge research papers, covering a wide range of topics, and encompasses approximately 19,000 pages of Articles, Communications, and Perspectives annually. With a weekly publication frequency, JACS plays a vital role in advancing the field of chemistry by providing essential research.
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