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

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 pi-pi 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). (C) 2022 Elsevier B.V. All rights reserved.

Automated summary

In this work, the properties of a new complex of hexacyanoferrate and 1,10-phenanthroline were investigated, including structure, spectroscopic, optical, and electrochemical properties. The crystal structure of the complex was determined by single crystal X-ray diffraction, revealing a 3D supramolecular structure interconnected by strong hydrogen bonds and pi-pi interactions. The complex exhibited excellent supercapacitive properties.