Influence of different N‑benzoyl derivatives of isoleucine on electrochemical properties and pseudocapacitance performance of conductive polymer electroactive film: Electrochemical and theoretical study

Abstract

Three newly synthesized N‑benzoyl derivatives of isoleucine (3‑methyl 2‑[(4‑methylbenzoyl) amino] pentanoic acid (C-Me(, 2‑(benzoyl amino) 3‑methyl pentanoic acid (C-H) and 2‑[(4‑chlorobenzoyl) amino] 3‑methyl pentanoic acid (C-Cl) were synthesized via Schotten-Baumann method. Afterward, dealing with improving electrochemical properties of the poly ortho aminophenol (POAP), we fabricated POAP/C-Me, POAP/C-H and POAP/C-Cl films through electro-polymerization of POAP by employing of N‑benzoyl derivatives of isoleucine to consider as the active electrode for SCs. Based on the electronic wave function (DFT-method), the local intramolecular the electron density and its Laplacian, corresponding to atomic electronic kinetic energy, and molecular virial forces (in the molecular planes) of the molecular system is studied in this work calculated. Analysis of these results show that the atomic-scale electronic properties are generally depend on the bonding and electronic molecular structures and electron donating group on the N‑benzoyl derivatives has main important effect rather than electron withdrawing group. Based on electrochemical analyzing of POAP/C-Me, the specific capacitance, retention capacity and cycle stability as desirable factors in electrochemical SCs, exhibited more improved performances than electron withdrawing group in POAP/C-Cl film. According to electrochemical and quantum chemical evaluation, C-Me has improvement effect on electrochemical performance of POAP/C-Me electroactive film. This study reveals that POAP/C-Me with high fractal dimension, high specific capacitance and long cycle-life is suitable for application in energy storage materials.