铝配位场中的稳定中性自由基。
A Stable Neutral Radical in the Coordination Sphere of Aluminum.
机构信息
Institut für Anorganische Chemie, Universität Göttingen, Tammannstrasse 4, 37077, Göttingen, Germany.
State Key Laboratory of Physical Chemistry of Solid Surface, National Engineering Laboratory for Green Chemical Productions of Alcohols-Ethers-Esters, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, P.R. China.
出版信息
Angew Chem Int Ed Engl. 2017 Jan 2;56(1):397-400. doi: 10.1002/anie.201609101. Epub 2016 Dec 15.
The neutral radical (Me -cAAC) AlCl (2) is stabilized by cyclic (alkyl)(amino)carbenes (cAACs). Complex 2 was synthesized by reduction of the Me -cAAC:→AlCl (1) adduct with KC in the presence of another equivalent of Me -cAAC. The crystal structure of 2 shows that the Al-C bond lengths of the two carbenes bound to the Al center are considerably different, which is likely the result of intermolecular interactions. Quantum-chemical calculations from the gas phase give an equilibrium structure with identical Al-C bond lengths. Compound 2 exhibits monoradical character, which was confirmed by EPR measurements. A bonding analysis indicates that the unpaired electron resides mainly at the carbene carbon atoms. Compound 2 is an example for an unusual neutral Al radical.
中性自由基（Me-cAAC）AlCl（2）由环状（烷基）（氨基）卡宾（cAACs）稳定。通过在存在另一个当量的 Me-cAAC 的情况下用 KC 还原 Me-cAAC:→AlCl（1）加合物来合成 2。2 的晶体结构表明，与 Al 中心结合的两个卡宾的 Al-C 键长度有很大差异，这可能是分子间相互作用的结果。气相中的量子化学计算给出了具有相同 Al-C 键长度的平衡结构。化合物 2 表现出单自由基特征，这通过 EPR 测量得到证实。键分析表明，不成对电子主要位于卡宾碳原子上。化合物 2 是一个不寻常的中性 Al 自由基的例子。
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