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锡卡宾络合物

Carbene Complexes of Stannocenes.

机构信息

Faculty of Natural Sciences and Technology, Department of Chemistry , Saarland University , Saarbrücken 66123 , Federal Republic of Germany.

出版信息

Inorg Chem. 2018 Jul 16;57(14):8050-8053. doi: 10.1021/acs.inorgchem.8b01432. Epub 2018 Jun 28.

Abstract

Several stannocene carbene complexes, 3a-3g, were synthesized and examined in solution by NMR spectroscopy and in the solid state by single-crystal X-ray diffraction. In this new class of metallocene carbene complexes, coordination of the carbene to the tin atom was found to be comparably weak and mostly due to attractive dispersion forces, as indicated by density functional theory calculations. Furthermore, coordination of the N-heterocyclic carbenes results in a weakening of the Sn-Cp bonds, making these complexes very reactive and short-lived at room temperature.

摘要

几种二茂铁卡宾配合物,3a-3g,通过 NMR 光谱在溶液中,和通过单晶 X 射线衍射在固态中进行了研究。在这一新类茂金属卡宾配合物中,通过密度泛函理论计算表明,卡宾与锡原子的配位相当弱,主要归因于吸引力的分散力。此外,N-杂环卡宾的配位导致 Sn-Cp 键的削弱,使这些配合物在室温下非常活泼且寿命短。

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