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一种具有近似线性铝轴的离散三铝烷。

A Discrete Trialane with a Near-Linear Al Axis.

作者信息

Dhara Debabrata, Endres Lukas, Roy Aritra, Dewhurst Rian D, Bertermann Rüdiger, Fantuzzi Felipe, Braunschweig Holger

机构信息

Institute for Inorganic Chemistry, Julius-Maximilians-Universität Würzburg, Am Hubland, 97074 Würzburg. Germany.

Institute for Sustainable Chemistry & Catalysis with Boron, Julius-Maximilians-Universität Würzburg, Am Hubland, 97074 Würzburg, Germany.

出版信息

J Am Chem Soc. 2024 Dec 11;146(49):33536-33542. doi: 10.1021/jacs.4c10967. Epub 2024 Nov 26.

DOI:10.1021/jacs.4c10967
PMID:39589753
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11638959/
Abstract

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 ([LAlR]), 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.

摘要

铝中固有的电子不饱和性主要导致铝簇的形成,含离散铝原子链的化合物实例极少。在本工作中,我们成功合成并对一种高度不寻常的三铝烷物种进行了结构鉴定,该物种具有由三个铝原子组成的近线性链,同时还有一个卡宾稳定的铝酰阴离子([LAlR]),这是通过改变反应条件产生的另一种产物。已应用量子化学计算来阐明这些新型化合物的电子结构和键合。此外,我们使用炔烃成功捕获了一个反应中间体,表明存在碱稳定的单体铝烯(LRAl:)中间体,我们也通过计算方法对其进行了研究。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d8d/11638959/426f5e5dd5fe/ja4c10967_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d8d/11638959/32dc0074538d/ja4c10967_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d8d/11638959/f16df9aa26fb/ja4c10967_0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d8d/11638959/d796fbbe5d78/ja4c10967_0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d8d/11638959/4bd578221efb/ja4c10967_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d8d/11638959/55e969b6ea45/ja4c10967_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d8d/11638959/426f5e5dd5fe/ja4c10967_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d8d/11638959/32dc0074538d/ja4c10967_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d8d/11638959/f16df9aa26fb/ja4c10967_0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d8d/11638959/d796fbbe5d78/ja4c10967_0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d8d/11638959/4bd578221efb/ja4c10967_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d8d/11638959/55e969b6ea45/ja4c10967_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d8d/11638959/426f5e5dd5fe/ja4c10967_0004.jpg

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