Feriancova, Lucia; Cigan, Marek; Gmucova, Katarina; Kozisek, Jozef; Nadazdy, Vojtech; Putala, Martin published the artcile< Effect of electron-withdrawing groups on molecular properties of naphthyl and anthryl bithiophenes as potential n-type semiconductors>, Safety of 5-Bromo-2,2′-bithiophene, the main research area is naphthylbithiophene anthrylbithiophene preparation semiconductor.
A series of ten 2-naphthyl and 2-anthrylbithiophene derivatives with electron acceptor groups were synthesized using the Negishi or Suzuki cross-coupling reaction as a key step. We present a comparison of theor. and exptl. values of the LUMO and gap energies of these derivatives and the effect of the various electron-withdrawing groups on their optical and electrochem. properties. DFT-calculated frontier orbital energy differences have shown a trend following the exptl. determined values. The participation of the electron-withdrawing group in π-conjugation decreases the LUMO level and narrows the energy gap in the order of perfluoroalkyl, acyl, perfluoroacyl, nitro ≈ dicyanovinyl in both series. TD-DFT calculations allowed better understanding of electronic transitions. X-ray structure anal. of naphthalene hexanoyl and perfluorooctanoyl derivatives revealed their herringbone or sandwich herringbone mol. packing, resp., having a planar naphthalene-bithiophene moiety with opposite (s-trans vs. s-cis) conformation of bithiophene.
New Journal of Chemistry published new progress about Absorption spectra. 3480-11-3 belongs to class bromides-buliding-blocks, and the molecular formula is C8H5BrS2, Safety of 5-Bromo-2,2′-bithiophene.
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary