小分子有机硅单体N-(3-三甲氧基硅基乙基)乙二胺的有效蓝色发光(英文)

Efficient Blue Emission from Small-Molecule Organosilicon Monomer N-(3-Trimethoxysilylethyl)ethylenediamine

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.

We investigated the electronic structure,photophysical properties,and thermal stability of N- （3-trimethoxysilylethyl）ethylenediamine（TMSEEDA）.The optimized structural parameters in the ground state and first excited state were obtained from density functional theory calculations.The results showed that there was probablyπelectron delocalization within the Si-O skeleton,which induced the long wavelength absorption.A broad and intense blue emission with a maximum at 430 nm was observed for both the solution and the solid state with 270 nm excitation at room temperature.The absorption intensity for the solid state was five-times that of the pure TMSEEDA.For the ethanol solution,the photoluminescence intensity increased with increasing concentration of TMSEEDA and reached a maximum at a concentration of 100%.These results suggest there is no concentration quenching for TMSEEDA.An accepted model of electron delocalization and d-pπ-bonding within the Si-O skeleton was applied to explain the long wavelength absorption and blue emission.