Experimental and DFT investigation on the role of aromaticity on the stability of hydrogen bonded complexes of cyclohexanone with amines and hydroxyl compounds

Journal of Molecular Liquids(2022)

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摘要
•Role of aromatic ring in the formation of H-bonded complexes of cyclohexanone (CHE) is analyzed by ultrasonic.•Excess parameters predict strong interactions in aromatic hydroxyl and amine systems with CHE.•Intermolecular H-bond is established in these systems by UV–vis and IR spectra.•Theoretical analysis reveals existence of stronger OH…O and CH…O interactions in systems containing aromatic ring.•NCI and RDG plots established the presence of non-covalent interactions besides H-bond in these systems.
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关键词
Hydrogen bonded interaction,Acoustic parameter,Stability constant,DFT calculations,NCI analysis
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