Wydział Chemii

Justyna Krupa

Iwona Kosendiak

Maria Wierzejewska

Jan Lundell

2025

Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy

325

125081/1-125081/7

10.1016/j.saa.2024.125081

Naukowa

Angielski

Artykuł

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 OH⋯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.

Glycolic acid, Molecular complex, Spectroscopy, Computational chemistry, Matrix isolation, Hydrogen bond

CC-BY

http://dx.doi.org/10.1016/j.saa.2024.125081

http://www.elsevier.com