On December 5, 2022, Odey, Joseph O.; Ubana, Emmanuel I.; Eko, Ishegbe J.; Jones, Okama O. published an article.Electric Literature of 2010-06-2 The title of the article was Synthesis, characterization and theoretical studies of the photovoltaic properties of novel bifunctional reactive disperse dyes based on aminothiazole derivatives. And the article contained the following:
This article comprises synthesis and characterization of two polyfunctional diazo reactive-disperse dyes with aminothiazole moiety for application in dye-sensitized solar cells (DSSC). The characterization techniques employed were Gas chromatog.-mass spectrometry (GC-MS), Fourier-transform IR spectroscopy (FT-IR), UV-visible spectroscopy (UV-vis), and NMR to determine the different functional groups, mol. connectivities and mol. weight of the various fragments of the synthesized dyes. Theor. D. Functional Theory (DFT) and Time-Dependent TD-DFT calculations were performed using B3LYP/6-311+g(d,p). It can be observed that the HOMO energy levels of the resp. dyes have lower values than I-/I3- redox couple level (around -4.80 eV) in the four different phases studied, which is crucial for the regeneration of the oxidized dye mol. and efficient charge separation Furthermore, the HOMO-LUMO energy gaps of DYES F and S are within the range 2.38-5.40 eV, where all LUMO-CB of TiO2 energy gap values are sufficient for generating enough driving force for effective electron injection. The promising results of Light-harvesting efficiency (LHE) (values ranging from 0.81 to 0.89 except for DYE S in chloroform phase where it has an unusual value of 0.21) and Open-circuit voltage (VOC) values gotten compared with other organic, and natural sensitizers were due to the better interaction between the carboxyl and carbonyl groups of aryl azo mol. joined to the thiazolyl nucleus and the surface of TiO2 permeable film. DYE S exhibits the lowest band gap (2.374eV), which designates the highest chem. activity of the two dyes. Results from the quantum theory of atoms-in-mols. indicate that DYES F and S exhibit addnl. stability due to their relatively high H-bond interactions as well as certain addnl. intra-at. bonds among the atoms of the investigated compounds The outcome of the Natural bond orbital (NBO) anal. suggests that the strongest charge transfer occurs in DYE S as compared to DYE F. The types and modes of excitations for the first five excited states of the synthesized dyes were observed from the results of the hole-electron excitation anal. First hyperpolarizability values of the dye F and dye S were determined to be 47.24 and 46.90 times the hyperpolarizability value of urea, demonstrating its excellent non-linear optical (NLO) response. The experimental process involved the reaction of 4-Phenylthiazol-2-amine(cas: 2010-06-2).Electric Literature of 2010-06-2
The Article related to bifunctional aminothiazole dye preparation dssc electron transfer nlo, Physical Organic Chemistry: Other Reactions, Processes, and Spectra and other aspects.Electric Literature of 2010-06-2
Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica