1. Experimental and theoretical investigation of hydrogen bonded complexes between glycolic acid and water.
- Author
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Krupa J, Kosendiak I, Wierzejewska M, and Lundell J
- 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⋯H
2 O 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., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 The Authors. Published by Elsevier B.V. All rights reserved.)- Published
- 2025
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