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Hydrogen bond dynamics in aqueous Malonamide system: An experimental and theoretical approach
Mallick S,
Published in Elsevier BV
Volume: 301
Dielectric relaxation properties of aqueous solutions of Malonamide (MAL) with different compositions are studied using Time Domain Reflectometry (TDR). The Molecular interactions and dipole properties are described using excess dielectric parameters and effective Kirkwood factors. Thermal properties show dissociation effects with an increase in solute concentration within the mixture. The positive values of molar enthalpy suggest heat energy is being absorbed during the dipole reorientation process. Luzar model has been used to determine theoretical values of static dielectric constant and adequately it determines Kirkwood correlation values. The theoretical vibrational spectroscopy of MAL-Water complexes was performed which shows the carbonyl group (C=[dbnd]O) of MAL acts as a hydrogen bonding site. The Mulliken charge plot of MAL in its gaseous and solution phase shows that the compound is more electronegative in its solution phase. The hydrogen-bonding interactions between the solute-solvent molecules are verified by FTIR spectroscopy. The experimental and theoretical IR frequencies were found to be consistent. © 2020 Elsevier B.V.
About the journal
JournalData powered by TypesetJournal of Molecular Liquids
PublisherData powered by TypesetElsevier BV
Open Access0