Experimental and theoretical investigation of hydrogen bonded complexes between glycolic acid and water
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
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2025Copyright
© 2024 The Authors. Published by Elsevier B.V.
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.
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ElsevierISSN Search the Publication Forum
1386-1425Keywords
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https://converis.jyu.fi/converis/portal/detail/Publication/242546360
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Research Council of FinlandFunding program(s)
Academy Project, AoFAdditional information about funding
This research was funded by the Academy of Finland [grant number 332023], for the work performed at the University of Jyväskylä.License
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