6533b82efe1ef96bd129266f
RESEARCH PRODUCT
false
subject
chemistry.chemical_classificationArgon010405 organic chemistryHydrogen bondCarboxylic acidOrganic ChemistryMatrix isolationPharmaceutical Sciencechemistry.chemical_elementInfrared spectroscopy010402 general chemistry01 natural sciencesNitrogen0104 chemical sciencesAnalytical Chemistrychemistry.chemical_compoundchemistryChemistry (miscellaneous)Drug DiscoveryMolecular MedicinePhysical chemistryPhysical and Theoretical ChemistryConformational isomerismGlycolic aciddescription
Molecular complexes between glycolic acid and nitrogen were studied in a low-temperature argon matrix with FTIR spectroscopy, and supported by MP2 and BLYPD3 calculations. The calculations indicate 11 and 10 stable complex structures at the MP2 and BLYPD3 levels of theories, respectively. However, only one hydrogen-bonded complex structure involving the most stable SSC conformer of glycolic acid was found experimentally, where the nitrogen molecule is bound with the carboxylic OH group of the SSC conformer. The complex shows a rich site structure variation upon deposition of the matrix in different temperatures and upon annealing experiments, which provide interesting prospects for site-selective chemistry.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2019-09-07 | Molecules |