Electronic structures and spectra of quinoline chalcones: DFT and TDDFT-PCM investigation

Role of Solvent Polarity and Hydrogen-Bonding on Excited-State Fluorescence of 3-[(E)-{4-[Dimethylamino]benzylidene}amino]-2-naphthoic Acid (DMAMN): IsomerizationvsRotomerization

“…These unexpected 550 nm emission bands in alcohols suggest a significant perturbation of the intramolecular hydrogen bond existing in the initially excited closed conformer ( Z -isomer with regard to the imine configuration) and thus dictate the possibility of formation of intermolecular hydrogen-bonded complex in the excited state involving both the enolic hydrogen atom and the ketonic oxygen of the carboxyl group, because many studies show that the strength of the hydrogen bond between the alcohol and the ketonic oxygen increases in the excited state. − The support for this prediction will be outlined in the coming sections.…”

Corrosion inhibition behavior of two quinoline chalcones: insights from density functional theory

“…Recorded pharmacological studies with such compounds in which the relative position of electronreleasing groups in the aromatic rings is modified are profuse (Berar, 2012). Recent research on the geometric parameters of different substituted quinoline chalcones by Xue et al (2011), which explicitly brings the effects of the introduction of substituents into the analysis along with the increase in conjugate chain length, indicates that the relationship between the structure and the elongation of the conjugate chain is indeed entirely weak. Apart from this clue, the question of whether the extra benzene ring in PPBQ accounts for its higher inhibition compared to that of PPQ can be addressed first through an accurate description of the geometric structures of these compounds.…”

The Synthesis and Spectral Properties of Benzofuran Derivative Bis-Chalcone

“…The FT-IR spectra (4000-400 cm -1 ) were recorded by Perkin Elmer (USA) Spectrum Two with U-ATR FTIR spectrometer. 1 HNMR (600 MHz) and 13 C NMR (600 MHz) spectra were recorded on a Bruker Advance III HD (USA) spectrometer using CDCl 3 and tetramethylsilane (TMS) was used as an internal reference. Thin-layer chromatography (TLC) was performed on Merck silicagel plates (60F 254 ), and visualized with ultraviolet light (366 and 254 nm).…”

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C halcones, a class of compounds naturally occuring in various plants, are precursors of flavonoids and they consist of two aromatic rings connected by an α,β-unsaturated carbonyl group (Figure 1). They can be obtained by the Claisen-Schmidt condensation reaction between acetophenone and benzaldehyde derivatives in the presence of acid or base catalysts [1]. Khellinone, the compound containing an acetophenone group, is a valuable starting material for the synthesis of new chalcone derivatives.

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