6533b7d9fe1ef96bd126cecb

RESEARCH PRODUCT

The effect of the fused-ring substituent on anthracene chalcones: crystal structural and DFT studies of 1-(anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-en-1-one and 1-(anthracen-9-yl)-3-(pyren-1-yl)prop-2-en-1-one.

Suhana ArshadIbrahim Abdul RazakDian Alwani Zainuri

subject

Chalconecrystal structureSubstituentchalconeCrystal structure010402 general chemistry010403 inorganic & nuclear chemistryRing (chemistry)01 natural sciencesMedicinal chemistryDFTResearch Communicationschemistry.chemical_compoundMoietyGeneral Materials ScienceAnthraceneCrystallographyHirshfeld surfaceUV-VisGeneral ChemistryCondensed Matter Physics0104 chemical scienceschemistryQD901-999Density functional theoryEnone

description

Two new anthracene chalcones, namely 1-(anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-en-1-one and 1-(anthracen-9-yl)-3-(pyren-1-yl)prop-2-en-1-one, have been successfully synthesized and the effect of the different fused ring substituent system attached to the anthracene chalcone derivative investigated. These compounds show a very narrow band gap due to the large p-conjugated systems, making them promising candidates as optoelectronic materials. Hirshfeld surface analysis has been carried out to show the contribution of inter­molecular contacts and weak inter­actions to supra­molecular stabilization.

yearjournalcountryeditionlanguage
2018-04-12Acta crystallographica. Section E, Crystallographic communications
10.1107/s2056989018005467https://pubmed.ncbi.nlm.nih.gov/29850084