Abstract
A new organic metal halide hybrid, benzyltrimethylammonium tetrachloroferrate (III), 1, ((BzMe3N)FeCl4) was synthesized by slow evaporation. The single crystal X-ray diffraction reveals that 1, crystallizes in the P-1 triclinic space group with the parameters a = 7.158 (5), b = 8.814 (8), c = 12.922 (4) Å, α = 82.44 (5), β = 86.14 (4), γ = 87.13 (7)°, V = 805.7 (10) Å3 and Z = 2. The structure packing exhibits a cationic and anionic layers alternation linked by means of C─H⋯Cl hydrogen interactions. The Hirshfeld surface and the lattice energy of 1 were calculated. The material purity was verified using X-ray powder diffraction and Rietveld refinements. The TG-DTA analysis revealed that the new compound is stable up to 250 °C. The UV–Visible was the fluorescence emission were investigated. The optical band gap energy was deduced from the Kulbeka-Munk spectrum. The HOMO-LUMO gap was calculated theoretically. The studied material shows weak antiferromagnetic behavior.
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