Title: Experimental and theoretical investigation of hydrogen bonded complexes between glycolic acid and water
Authors: Krupa Justyna, Kosendiak Iwona, Wierzejewska Maria, Lundell Jan
DOI: https://doi.org/10.1016/j.saa.2024.125081
Date: 01/15/2025
Grant Period: 3
Grant Period Goal (number): 3
Covered deliverables from the MoU (number): 5.7.3
Countries involved: Poland, Finland
Number of female/young/ITC coauthors: 1,2,3
Abstract: Theoretical MP2 and B3LYPD3 calculations, as well as experimental matrix isolation infrared spectroscopy studies, were used to investigate the 1:1 complexes formed between glycolic acid and water. Out of five computationally predicted forms of GA⋯H2O complex the most stable one was detected experimentally in solid argon. This structure is characterized by two intermolecular Osingle bondH⋯O hydrogen bonds depicting a six-member ring in which water acts both as a proton acceptor and as a proton donor. Two other structures with the alcoholic OH group acting as a proton donor are also tentatively suggested to be present in solid argon.
