A1 Journal article (refereed)
Complexes of Glycolic Acid with Nitrogen Isolated in Argon Matrices. I : Structures and Thermal Effects (2019)

Kosendiak, I., Ahokas, J. M., Krupa, J., Lundell, J., & Wierzejewska, M. (2019). Complexes of Glycolic Acid with Nitrogen Isolated in Argon Matrices. I : Structures and Thermal Effects. Molecules, 24(18), Article 3262. https://doi.org/10.3390/molecules24183262

JYU authors or editors

Publication details

All authors or editorsKosendiak, Iwona; Ahokas, Jussi M.E.; Krupa, Justyna; Lundell, Jan; Wierzejewska, Maria

Journal or seriesMolecules


Publication year2019


Issue number18

Article number3262


Publication countrySwitzerland

Publication languageEnglish


Publication open accessOpenly available

Publication channel open accessOpen Access channel

Publication is parallel published (JYX)https://jyx.jyu.fi/handle/123456789/65491


Molecular complexes between glycolic acid and nitrogen were studied in a low-temperature argon matrix with FTIR spectroscopy, and supported by MP2 and BLYPD3 calculations. The calculations indicate 11 and 10 stable complex structures at the MP2 and BLYPD3 levels of theories, respectively. However, only one hydrogen-bonded complex structure involving the most stable SSC conformer of glycolic acid was found experimentally, where the nitrogen molecule is bound with the carboxylic OH group of the SSC conformer. The complex shows a rich site structure variation upon deposition of the matrix in different temperatures and upon annealing experiments, which provide interesting prospects for site-selective chemistry.

Keywordsmoleculeshydrogen bondscarboxylic acidsnitrogencomputational chemistry

Free keywordshydrogen bond; matrix isolation; carboxylic acid; computational chemistry; vibrational spectroscopy

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Ministry reportingYes

Reporting Year2019

JUFO rating1

Last updated on 2024-11-05 at 20:47