Nonlinear optical properties of pyrene-based chalcone: (E)-1-(4′-bromo-[1,1′-biphenyl]-4-yl)-3-(pyren-1-yl)prop-2-en-1-one, a structure-activity study

Involvement of halogen and polyaromatic substituents in chalcone derivatives as dye sensitizers in solar cell applications

“…In Table 3, the selected bond lengths, bond angles, and torsion angles are tabulated and compared with those of previously reported pyrenyl chalcones. 33,48 All selected geometric parameters obtained were in normal ranges and comparable with former studies. 33,48…”

“…In Table 3, the selected bond lengths, bond angles, and torsion angles are tabulated and compared with those of previously reported pyrenyl chalcones. 33,48 All selected geometric parameters obtained were in normal ranges and comparable with former studies. 33,48 Based on Table 4, the dihedral angle between the substituted aromatic ring and the enone bridge of PyBr was found to be planar at 7.581 due to the small impact of the parasubstituted bromine (-Br) atom on the crystal structure.…”

“…33,48 All selected geometric parameters obtained were in normal ranges and comparable with former studies. 33,48 Based on Table 4, the dihedral angle between the substituted aromatic ring and the enone bridge of PyBr was found to be planar at 7.581 due to the small impact of the parasubstituted bromine (-Br) atom on the crystal structure. It was also observed that the bromobenzene ring also formed a small dihedral angle with the pyrene unit due to the weak influence of heavy atoms on molecular planarity, as displayed in Fig.…”

“…32 The vibrational modes of CQO stretching with pyrene substitution in the chalcone derivative showed strong IR absorption at 1587-1670 cm À1 due to the strong dipole moment caused by the partial positive charge of the carbon and the negative charge of the oxygen atom. 32,33 Subsequently, the functional group C-O was identified in the spectrum of the PyF compound. The C-O vibrational mode of the compound was determined at 1226 cm À1 , which lies within the expected region between 1100 cm À1 and 1300 cm À1 .…”

“…12 The attachment of heavy atoms to the phenyl ring influences the normal vibrational modes of the ring. 33 C-X [X = F, Cl and Br] absorption can be observed in the wide range of 492-1234 cm À1 depending on the configuration and conformation of the compound. 35 The presence of the C-F stretching mode has been previously stated in ref.…”