Chochos, Christos L. published the artcileExperimental and theoretical investigations on the optical and electrochemical properties of π-conjugated donor-acceptor-donor (DAD) compounds toward a universal model, Computed Properties of 52431-30-8, the publication is Journal of Chemical Physics (2018), 149(12), 124902/1-124902/9, database is CAplus and MEDLINE.
A series of nine (9) donor-acceptor-donor (DAD) π-conjugated small mols. were synthesized via palladium catalyzed Stille aromatic cross-coupling reactions by the combination of six (6) heterocycle building blocks (thiophene, furan, thiazole, 2,1,3-benzothiadiazole, 2,1,3-pyridinothiadiazole, thienothiadiazole) acting as electron donating (thiazole, furan, thiophene) and electron deficient (benzothiadiazole, pyridinethiadiazole, thienothiadiazole) units. These model compounds enable determining the correspondence between the theor. and exptl. optical and electrochem. properties for the first time, via D. Functional Theory (DFT), time-dependent DFT, UV-Vis spectroscopy, and cyclic voltammetry, accordingly. The obtained theor. models can be utilized for the design and synthesis of new DAD structures with precise optical bandgaps, absorption maxima, and energy levels suitable for different optoelectronic applications. (c) 2018 American Institute of Physics.
Journal of Chemical Physics published new progress about 52431-30-8. 52431-30-8 belongs to bromides-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 2,5-Dibromo-3,4-dinitrothiophene, and the molecular formula is C4Br2N2O4S, Computed Properties of 52431-30-8.
Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary