2-Mercaptobenzothiazole modified carbon paste electrode as a novel copper sensor: An electrochemical and computational study

Selective detection of Cu2+ ions using a mercaptobenzothiazole disulphide modified carbon paste electrode and bismuth as adjuvant: a theoretical and electrochemical study

“…Type 1 interaction: interaction of the metals with the MBTS present on the electrode (peaks B, C and F; the latter being a special case that will be explained later in the computational chemistry section), and type 2 interaction: deposit/accumulation of metals on the surface in the form of amalgams (peaks D and E). The F peak appears in potentials like those found in another study, 13 indicating that it is due to the oxidation of Cu that it is interacting with the MBTS present on the surface of the electrode (type 1 interaction). It is worth mentioning that this peak gives the electrode a selective character for Cu.…”

“…The CPE-MBT was prepared by mixing 0.15 g of graphite powder (Alfa-Aesar, powder 2-15 mm, 99.9995% purity), 0.01 g of MBTS and 52 mL of silicone oil (Sigma-Aldrich, r = 0.968 g mL À1 , 350 cSt) in an agate mortar. The procedure was done according to Flores-A ´lvarez et al, 13 and was prepared with the same procedure and quantities as CPE-MBTS, excluding MBTS. Before any use, the electrode was allowed to rest by immersing its surface in tri-distilled water for 24 hours to allow its ''self-homogenization''.…”

“…Furthermore, DFT studies have been used to model the surface interface of modified CPEs, providing insights on the selectivity and mechanism of these electrochemical sensors, whose redox process is enhanced by stronger electrode-analyte interactions. 12 In a previous work, 13 a CPE modified with 2-mercaptobenzothiazole (MBT) was used to monitor Cu. Computational calculations identified the thione moiety as a viable adsorption site for the metal, which facilitated its interaction with the electrode's modified surface and enhanced the electron transfer process.…”

Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems

“…We will illustrate that IGMH displays conspicuously better graphical effect than IGM in many cases, not only the isosurfaces are easier to visually inspect, but also possible misleading conclusion on the interaction type could be fully avoided. Due to the appealing feature of IGMH, this method has already been employed in some researches by Multiwfn users [27][28][29][30][31] since it was available in Multiwfn 3.7. Moreover, IGMH has a more rigorous physical basis than IGM, because it is defined on the top of actual molecular density rather than promolecular density, the latter one fully neglects electron transfer and polarization during formation of current system from isolated atoms.…”

Pre-post electron transfer regioselectivity at glycine modified graphene electrode interface for voltammetric sensing applications

“…Ambrusi et al [17] used the DFT model to understand the carbon dot surface interaction with silver nanoparticles and found that carbon dots with the COOH group is beneficial for silver nanoparticle interactions. Pineda-Urbina et al [18] utilized the carbon surface model to understand the 2-mercaptobenzothiazole-modified carbon paste electrode interface. Their theoretical results are useful to understand the selectivity of the modified surface for metal ions (Cu 2+ > Pb 2+ > Cd 2+ ) sensing.…”