New Picolylamine Azo Pyrazolone Synthesis, Thermal Behavior, Spectroscopic, Computational and its Application in...

A new 2-picolylamine-azo-3-methyl-1-(3-sulfoamidophenyl)-5-pyrazolone (2PAMP) dye was synthesized from pyridin-2-ylmethanamine and (3-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfamic acid and searched for the possibilities of its employment in Dye-Sensitized Solar Cells. The structure of the dyes was certain by UV-visible and FT-IR, ¹H-NMR spectroscopic techniques, and thermal analysis. The solvatochromic behavior of the 2PAMP was evaluated concerning its visible absorption properties in various solvents. Moreover, chemical reactivity modeling using the Density Functional Theory (DFT) method with the hybrid B3LYP functional in conjunction with the 6-311G(d, p) basis set has been investigated. This dye, 2PAMP, was utilized as an alternative sensitizer for Dye-Sensitized Solar Cells (DSSCs). The solar cells were depicted according to their efficiency parameters Voc, Jsc, FF, and ƞ%, gained from the current vs. voltage curves. The maximum efficiency of DSSC with 2PAMP was 0.3600%.