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详细研究了N-(3-三甲氧基硅基乙基)乙二胺(TMSEEDA)的电子结构、光物理性质以及热稳定性.通过密度泛函理论计算获得了基态和第一激发态的结构参数.计算结果还表明在Si-O骨架内存在离域电子,这导致了长波长的吸收.在270nm紫外光的激发下,溶液和固态均能观察到一个宽且强的蓝色发射,其峰位于430nm,固态的强度高出纯物质5倍左右.在乙醇溶液中,发光强度随着TMSEEDA浓度的增大而增加,并在纯物质时达到最大值.这些结果说明TMSEEDA不存在浓度淬灭效应.我们提出了在Si-O骨架内电子离域和d-pπ键模型来解释长波长吸收和蓝色发射.
The electronic structure, photophysical properties and thermal stability of N- (3-trimethoxysilyl ethyl) ethylenediamine (TMSEEDA) were investigated in detail.The structures of ground state and first excited state were obtained by density functional theory The results also show the presence of delocalized electrons in the Si-O framework, which leads to the absorption of longer wavelengths. A broad and strong blue emission was observed for both solution and solid state at 270 nm UV excitation Peak at 430nm, the intensity of the solid state is about 5 times higher than that of the pure substance.In the ethanol solution, the luminescence intensity increases with the increase of the concentration of TMSEEDA and reaches the maximum at the pure substance.These results show that there is no concentration quenching of TMSEEDA Effect. We propose an electronic delocalization and d-pπ bond model within the Si-O framework to account for long wavelength absorption and blue emission.