中位芳基吡唑卟啉荧光量子产率与分子结构的定量关系研究

The Quantitative Analysis of the Relations Between the Molecular Structures and the Fluorescence Quantum Yields of Meso-tetrakis(1-arylpyrazol-4-yl)porphyrins

化合物的发光性能主要由该物质的分子结构确定.卟啉作为重要的光化学和光生物学化合物一直备受关注.从实验室合成的中位芳基吡唑卟啉的分子结构描述参数出发,着重考察了前线轨道能级、旋转半径等参数与卟啉荧光量子产率之间的关系,并建立了各参数与该类化合物荧光量子产率之间的线性模型,从理论上定量阐述了不同取代基对化合物荧光量子产率的影响.

The luminescent properties of a compound were mainly determined by its molecular structure. As an important kind of photochemical and photobiological compounds, porphyrins have been receiving more and more cautions. In this paper, linear models have been established based on the molecular structures and the fluorescence quantum yield of the meso-tetrakis（1-arylpyrazol-4-yl）porphyrins synthesized in our laboratory, which described the correlations between the compound fluorescence quantum yields and the molecular frontier orbital energy, the radius of gyration et al. The fluorescence quantum yields of porphyrins affected by different substituents were then analyzed detailedly in quantity.