Electrochemical, vibrational, optical and Hirshfeld surface studies of 3D- bis[di(1,10-phenanthrolinium) (1,10-phenanthroline)] hexacyanoferrate ethanol trihydrate

• Published in: Journal of molecular structure 2022-04, Vol.1254, p.132320, Article 132320
• Main Authors: Selmi, W., Hosni, N., Marchivie, M., Naceur, J. Ben, Maghraoui-Meherzi, H., Zid, M.F.
• Format: Article
• Language: English
• Subjects: Chemical Sciences; Cyclic voltammetry; Ferrocyanide; Hirshfeld surface analysis; Ir spectroscopy; Material chemistry; Structural analysis
• ISSN: 0022-2860; 1872-8014; 0022-2860
• DOI: 10.1016/j.molstruc.2021.132320

•3D- bis[di(1,10-phenanthrolinium) (1,10-phenanthroline)] hexacyanoferrate ethanol trihydrate have been grown by the slow evaporation technique and study by X–ray diffraction.•The crystal packing is governed by the O—H…N and N—H…O and π-π interactions.•The cyclic voltammetry explores the electrochemical performance of the complex. In this work, structure, spectroscopic, optical and electrochemical investigation of a new complex of the hexacyanoferrate [Fe(CN)6]4− and 1,10-phenanthroline have been examined. The complex has been resolved by single crystal X-ray diffraction at room temperature. In the crystal structure individual complex is interconnected through strong hydrogen bonds of type O—H…N, N—H…O and π-π interactions to obtain a 3D supramolecular shape. The three-dimensional Hirshfeld surface (3D-HS) investigation and the two-dimensional unique finger impression plots (2D-FP) reveal that the H… O, H… N and H… H contacts dominates the structure. The cyclic voltammetry explores the electrochemical performance of the complex. The complex reveals excellent supercapacitives properties with a higher specific capacitance equal to 1000 F.g−1 for the scans rate 10 mVs−1. [Display omitted]