簇合物[Fe2(CO)8]2-和[Fe3S(CO)9]2-成簇类型的光谱探讨及电子光谱和电子结构研究

在Fe(CO)₅+Et₄N]₂MoS₄相同体系中,改变原料配比及碱度,可得到3种簇合物:(Ⅰ)Et₄N]₂Fe₂(CO)₈]、(Ⅱ)Et₄N]₂Fe₃S(CO)₉]、(Ⅲ)Et₄N]₃FeMo₂S₈O₂]。本文用电子光谱法考察了各簇合物的生成条件。根据X光结构分析,用群分解的EHMO程序,计算了(Ⅰ)、(Ⅱ)簇合物阴离子骨架能级,并研究了它们的电子光谱及电子结构。

Spectrometric Investigation of the Types of Forming [Fe_2(CO)_8]~(2-) and [Fe_3S(CO)_9]~(2-) ant Studies on Their Electronic Spectra and Electronic Structures

Three types of clusters were obtained from the reactions of Fe(CO)5 with(Et4N)2MoS4 in CH3OH-CH3ONa solution by using different reactant ratios and different concentrations of the base:structures,UV-VIS AND IR spectra were measured.The electronic structures of the anions of (I)and (II)are studied by EHMO method and the analysis and assignment of their electronic spectra are made on the basis of the calculations.The relationship among the types of clusters formed in the three reactions and the change of reactant ratios and concentrations of the base are also studied.