Single crystals of organic compounds are perfectly suitable for top organic field-effect transistors (OFETs) because of their arranged atomic pressing and smooth surface. Crystals of o-phenylenediamine dihydrochloride polychloride, C₆H₄(NH₂)₂·2HCl ([OPDDH]^c) is magnificently synthesized in a highly acidic medium; crystal structure is determined as monoclinic, space group C2/c, with a = 7.324(2), b = 14.497 (5), c = 7.992(3)Å, α = 90, β = 94.04(4) and γ = 90 (^o), V = 846.4(5) ų and Z = 4. The different interactions in the crystal were investigated by Hirshfeld surface analysis. The geometry, highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO) and other active parameters were calculated by density functional theory (DFT) on Material Studio 7.0. Thin film of single crystal was fabricated by spin coating method. The single crystal and its thin film were described by various techniques including UV–Vis–NIR, and single & powder X-ray diffraction. The refractive parameter dispersion and dielectric constants of thin film have been examined by Wemple–DiDomenico and single Sellmeier oscillator models. The optical parameters indicate that the thin film has a comparatively high absorption zone within 2–6 eV of photon energy range. The activation energies (E_a) and Urbach energy (E_U) values of thin film were found to be 2.01 and 0.378 eV, respectively. The resulting thin film is high performance semiconductor. This bring it to be a good candidate as a solar cell application based on its dispersion parameters and band gap value.

由于有机化合物的单晶排列合理，且原子表面光滑，因此非常适合用于顶级有机场效应晶体管（OFET）。的晶体直径：苯二胺二盐酸盐多氯化物，C ₆ H ^ ₄（NH ₂）₂ ·2HCl的（[OPDDH] ^Ç）在强酸性介质中合成的辉煌; 晶体结构确定为单斜晶，空间群C 2 / c，a = 7.324（2），b = 14.497（5），c = 7.992（3）Å，α= 90，β= 94.04（4）和γ= 90（^ø），V = 846.4（5）³Z =4。通过Hirshfeld表面分析研究了晶体中的不同相互作用。在Material Studio 7.0上通过密度泛函理论（DFT）计算了几何结构，最高占据分子轨道（HOMO），最低未占据分子轨道（LUMO）和其他活动参数。通过旋涂法制备单晶薄膜。单晶及其薄膜通过各种技术进行了描述，包括UV-Vis-NIR，单和粉末X射线衍射。薄膜的折射率分布和介电常数已通过Wemple–DiDomenico和单个Sellmeier振荡器模型进行了检验。光学参数表明，薄膜在光子能量范围的2–6 eV内具有较高的吸收区。活化能（E _a）和薄膜的Urbach能量（E _U）值分别为2.01和0.378 eV。所得的薄膜是高性能半导体。基于其色散参数和带隙值，这使其成为太阳能电池应用的良好候选者。