Synthesis, Structure, and Bonding Analysis of Tin(II) Dihalide and Cyclopentadienyltin(II) Halide (Alkyl)(amino)carbene Complexes
Synthesis, Structure, and Bonding Analysis of Tin(II) Dihalide and Cyclopentadienyltin(II) Halide (Alkyl)(amino)carbene Complexes
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DOI：
10.1021/acs.organomet.8b00861
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发表时间：
2019-03-11
期刊：
影响因子：
2.8
通讯作者：
Schaefer, Andre
中科院分区：
文献类型：
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作者：
Mueller, Carsten;Andrada, Diego M.;Schaefer, Andre
二溴化锡(2b)、环戊二烯基氯化锡(2c)和环戊二烯基氯化锡(2d)与环烷基卡宾(CAAc)1反应，得到相应的配合物cAAC.SnBr2，3b，CAAc-SnCpCl3c和cAAC.SnCpBr3d，并在溶液和固体中进行了研究。虽然3c，d可以分离为结晶固体，但在溶液中与其他锡(II)物种存在异感/同感平衡。此外，还对3b的配位化学进行了研究，得到了相应的铁四羰基络合物5，并对其结构进行了表征。此外，在密度泛函理论框架下，通过量子化学计算研究了3c，d在溶液中的平衡反应机理，以及所有CAAc络合物的化学键性质。
Tin(II) dibromide, 2b, and cyclopentadienyltin(II) chloride, 2c, and cyclopentadienyltin(II) bromide, 2d, were reacted with cyclic (alkyl)(amino)carbene (cAAC), 1, to give the corresponding complexes cAAC.SnBr2, 3b, cAAC-SnCpCl, 3c, and cAAC.SnCpBr, 3d, which were studied in solution and in the solid state. Although isolatable as crystalline solids, 3c,d exist in a heteroleptic/homoleptic equilibrium with other tin(II) species, in solution. In addition, the coordination chemistry of 3b was investigated and the corresponding iron tetracarbonyl complex, 5, could be isolated and structurally characterized. Furthermore, the mechanism of the equilibrium reaction observed for 3c,d in solution, as well as the chemical bonding nature of all cAAC complexes were investigated by quantum-chemical calculations within the DFT framework.