In this research, it is tried to improve electrical, optical, and non-linear optical (NLO) properties of boron-dipyrromethene (BODIPY) as a very optically active molecule. The results showed that two analogs of BODIPY, i.e., the AlDIPY and GaDIPY, have electrical properties and optical activity comparable to those of BODIPY. Next, improvement of the electrical and optical properties of BODIPY, AlDIPY, and GaDIPY was investigated using the C₂₀ fullerene, as an electronegative fragment, instead of two F atoms. The results showed considerable improvement in the electrical properties of these molecules. Compatible with high electronegativity of C₂₀ fullerene, evident charge transfer (CT) from BODIPY, AlDIPY, and GaDIPY to C₂₀ fullerene was seen. Promising results were observed when using the C₂₀ to modify the optical properties of BODIPY, AlDIPY, and GaDIPY. In particular, the optical properties of BODIPY were enriched in the presence of C₂₀. This molecule causes the creation of two absorption lines in visible region that did not exist before. The solvent influence on the optical activity of BODIPY-C₂₀ showed that, in the visible region, the λ_max line is affected by the polarity of the solvent and increasing solvent dielectric constant cause a blue shift in this region. Finally, the NLO properties were calculated for all mentioned molecules, which indicated remarkable improvement in the NLO properties in the presence of C₂₀ fullerene. The results of this research showed that the designed molecules are suitable for photosensitizer uses because of their NLO properties.

在这项研究中，试图改善作为光学活性高的分子的硼-二吡咯亚甲基（BODIPY）的电，光学和非线性光学（NLO）特性。结果表明，BODIPY的两个类似物AlDIPY和GaDIPY具有与BODIPY相当的电性能和光学活性。接下来，使用C ₂₀富勒烯代替两个F原子作为负电性片段，研究BODIPY，AlDIPY和GaDIPY的电学和光学性能的改善。结果表明这些分子的电学性能得到了显着改善。与C ₂₀富勒烯的高电负性兼容，从BODIPY，AlDIPY和GaDIPY到C _20的明显电荷转移（CT）看到了富勒烯。当使用C ₂₀修改BODIPY，AlDIPY和GaDIPY的光学性能时，观察到了令人鼓舞的结果。特别地，在C ₂₀的存在下，BODIPY的光学性质得以丰富。该分子导致在可见区域中创建两个以前不存在的吸收线。溶剂对BODIPY-C ₂₀光学活性的影响表明，在可见光区域，_λmax线受溶剂极性的影响，并且溶剂介电常数的升高会导致该区域发生蓝移。最后，计算了所有提到的分子的NLO性质，这表明在存在C ₂₀的情况下NLO性质得到了显着改善。富勒烯。这项研究的结果表明，设计的分子由于具有NLO特性，因此适合光敏剂的使用。