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FTIR matrix isolation and theoretical studies of glycolic acid dimers

2018

Glycolic acid (GA) dimers were studied in low temperature argon matrices by means of FTIR spectroscopy. Experimentally, the dimers were produced when monomeric glycolic acid molecules were thermally mobilized upon annealing of argon matrices at 25–35 K. The experimental spectra observed upon annealing indicate the presence of three different dimer structures. Computationally, MP2 and DFT calculations were used to study the potential dimer species in order to scrutinize the possible dimer structures, their energetics and their spectral features. Altogether 27 local minima were found for dimer structures for the three lowest conformers of glycolic acid considered based on previous studies on …

kemiaeristysspectraDimerinfrared spectrahapotInfrared spectroscopy02 engineering and technologychemistry010402 general chemistryDFT01 natural sciencesAnalytical ChemistryInorganic Chemistryglycolchemistry.chemical_compoundPhysics::Atomic and Molecular ClustersMoleculePhysics::Chemical Physicsta116Conformational isomerismacidsSpectroscopyGlycolic acidQuantitative Biology::Biomoleculesvetysidokseteristys (eristäminen muista)MP2Hydrogen bondOrganic ChemistryMatrix isolation021001 nanoscience & nanotechnology0104 chemical sciencesspektritMonomerchemistryvetyhydrogenhydrogen bondsglykoliargonPhysical chemistry0210 nano-technologyisolationJournal of Molecular Structure
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