The optoelectronic properties of heterocyclic BODIPY fluorophores such as 4,4-difluoro-8-(C₄H₃X)-4-bora-3a,4a-diaza-s-indacene (X = O, S, Se) are explored in the solid-state bulk state. The effects of elements from the chalcogenide family (O, S, and Se) on the density of states, band structure, dielectric functions, extinction coefficient, indices of refraction and reflectance, loss function, and electrical conductivity are investigated. The differences in the rings of 4,4-difluoro-8-(C₄H₃X)-4-bora-3a,4a-diaza-s-indacene with X = O [2-/3-furyl (Comp1/4)], X = S [2-thienyl (Comp2)], and X = Se [2-selenenyl (Comp3)] are systematically compared. Among the various chalcogens, Comp3 including Se atom was found to be suitable in terms of significantly enhanced dielectric constant, conductivity, refractive index, and extinction coefficient values. The 2-furyl is favorable over the 3-furyl, 2-thienyl, and 2-selenenyl due to the significant contribution of this group to the p-orbitals from 0 to −4 eV. These results reveal that the studied BODIPY derivatives might be proficient multipurpose organic semiconductor materials.

杂环BODIPY的光电特性的荧光团如4,4-二氟-8-（C ₄ H ^ ₃ X） -硼杂3 -4一个，4一-diaza-小号-indacene（X  = O，S，Se）中是在固态大块状态下进行了探索。研究了硫族化物元素（O，S和Se）对态密度，能带结构，介电函数，消光系数，折射率和反射率，损耗函数和电导率的影响。在4,4-二氟-8-（C环上的差别₄ ħ ₃ X）-4-硼杂3一个，4一-diaza-小号-indacene与系统地比较了X  = O [2- / 3-呋喃基（Comp1 / 4）]，X  = S [2-噻吩基（Comp2）]和X  = Se [2-硒基（Comp3）]。在各种硫属元素中，发现包括Se原子的Comp3可以显着提高介电常数，电导率，折射率和消光系数值。2-呋喃基优于3-呋喃基，2-噻吩基和2-硒烯基，这是因为该基团对从0到-4eV的p-轨道的显着贡献。这些结果表明，所研究的BODIPY衍生物可能是精通的多用途有机半导体材料。