Experimental and theoretical investigation of hydrogen bonded complexes between glycolic acid and water
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.
Main Authors
Format
Articles
Research article
Published
2025
Series
Subjects
Publication in research information system
Publisher
Elsevier
The permanent address of the publication
https://urn.fi/URN:NBN:fi:jyu-202409115880Use this for linking
Review status
Peer reviewed
ISSN
1386-1425
DOI
https://doi.org/10.1016/j.saa.2024.125081
Language
English
Published in
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Citation
- Krupa, J., Kosendiak, I., Wierzejewska, M., & Lundell, J. (2025). Experimental and theoretical investigation of hydrogen bonded complexes between glycolic acid and water. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 325(15), Article 125081. https://doi.org/10.1016/j.saa.2024.125081
License
Funder(s)
Research Council of Finland
Funding program(s)
Academy Project, AoF
Akatemiahanke, SA
Additional information about funding
This research was funded by the Academy of Finland [grant number 332023], for the work performed at the University of Jyväskylä.
Copyright© 2024 The Authors. Published by Elsevier B.V.