Crystal structure and optical characterization of a new hybrid compound, C₆H₉N₂FeCl₄, with large dielectric constants...

Due to remarkable dielectric features, such as a large dielectric constant, strong electrical conductivity, high capacitance, and low dielectric loss, hybrid materials have lately seen a huge number of applications in the field of optoelectronics. These are critical characteristics that qualify the performance of optoelectronic devices, particularly field-effect transistor components (FETs). Here, the hybrid compound 2-amino-5-picoline tetrachloroferrate(iii) (2A5PFeCl₄) was synthesised by using the slow evaporation solution growth method at room temperature. Structural, optical, and dielectric properties have been investigated. The 2A5PFeCl₄ compound crystallises in the monoclinic system (P2₁/c space group). Its structure can be described as a successive layering of inorganic and organic parts. [FeCl₄]^- tetrahedral anions and 2-amino-5-picolinium cations are connected by N-H⋯Cl and C-H⋯Cl hydrogen bonds. The optical absorption measurement confirms the semiconductor nature with a band gap of around 2.47 eV. Additionally, the structural and electronic properties of the title compound have been investigated theoretically through DFT calculations. At low frequencies, this material has significant dielectric constants (ε ∼10⁶). Furthermore, the high electrical conductivity, low dielectric loss at high frequencies, and high capacitance show that this new material has great dielectric potential in FET technologies. Due to their high permittivity, these compounds can be employed as gate dielectrics.