Electroactive properties of a new azulene thioxo-imidazolidin-4-one ligand for modified electrodes

The electrochemical characterization of a new synthesized azulene compound (Z)-5-((5-isopropyl-3,8-dimethylazulen-1-yl)methylene)-2-thioxoimidazolidin-4-one (L) using cyclic voltammetry, differential pulse voltammetry and rotating disk electrode is presented. Chemically modified electrodes were obtained by successive scanning or by controlled potential electrolysis using different electrode potentials or charges. The new modified electrodes were tested in solutions containing different concentrations of the following heavy metals: cadmium, lead, mercury and copper. A good analytical response was obtained for Pb2+

DFT calculations and electrochemical studies on azulene ligands for heavy metal ions detection using chemically modified electrodes

A computational study on three related derivatives of 5-[(azulen-1-yl)methylene]-2-thioxoimidazolidin-4-one was conducted using density functional theory by calculating a series of molecular descriptors and properties of their optimized geometries (electrostatic and local ionization potentials, molecular frontier orbitals, etc.). Thermodynamic properties (zero-point energy, enthalpy, constant volume heat capacity, entropy and Gibbs energy) for these derivatives have been calculated and related to ligands electrochemical behavior. Reduction and oxidation potentials have been correlated to their calculated energy levels for LUMO and HOMO orbitals. Chemically modified electrodes based on these derivatives have been tested in view of heavy metal ions recognition, and their detection limits have been correlated to the calculated values of electron affinity

DFT calculations and electrochemical studies on azulene ligands for heavy metal ions detection using chemically modified electrodes

A computational study on three related derivatives of 5-[(azulen-1-yl)methylene]-2-thioxoimidazolidin-4-one was conducted using density functional theory by calculating a series of molecular descriptors and properties of their optimized geometries (electrostatic and local ionization potentials, molecular frontier orbitals, etc.). Thermodynamic properties (zero-point energy, enthalpy, constant volume heat capacity, entropy and Gibbs energy) for these derivatives have been calculated and related to ligands electrochemical behavior. Reduction and oxidation potentials have been correlated to their calculated energy levels for LUMO and HOMO orbitals. Chemically modified electrodes based on these derivatives have been tested in view of heavy metal ions recognition, and their detection limits have been correlated to the calculated values of electron affinity

Surface Characterization of Modified Electrodes Based on 4-(Azulen-1-yl)-2,6-bis((E)-2-(thiophen-2-yl)vinyl)pyridine

Sensitive electrodes based on complexing azulene polymer films were prepared by electrochemical deposition on glassy carbon electrodes. The characterization of 4-(azulen-1-yl)-2,6-bis((E)-2-(thiophen-2-yl)vinyl)pyridine (M) and its polymerization were performed by voltammetric methods on glassy carbon disk working electrodes in millimolar solutions of acetonitrile in the presence of 0.1 M tetrabutylammonium perchlorate (TBAP). The films containing complexing (thiophen-2-yl)vinyl symmetrically substituted pyridine fragments were deposited either by scanning or by controlled potential electrolysis (CPE). Investigation and morphological characterization of samples by Scanning Electron Microscopy (SEM), Energy Dispersive X-ray Spectroscopy (EDX), Atomic Force Microscopy (AFM), Fourier Transform IR Spectroscopy (FTIR), and fluorescence showed particular features of the CMEs obtained at variable potentials and charges and suggested the conservation the complexing units in the films. The characterization methods for chemically modified electrodes (CMEs) were chosen depending on the desired uses of this monomer for heavy metal sensors or optical applications, respectively