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 editors: Kosendiak, Iwona; Ahokas, Jussi M.E.; Krupa, Justyna; Lundell, Jan; Wierzejewska, Maria

Journal or series: Molecules

eISSN: 1420-3049

Publication year: 2019

Volume: 24

Issue number: 18

Article number: 3262

Publisher: MDPI

Publication country: Switzerland

Publication language: English

DOI: https://doi.org/10.3390/molecules24183262

Publication open access: Openly available

Publication channel open access: Open Access channel

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

Abstract

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.

Keywords: molecules; hydrogen bonds; carboxylic acids; nitrogen; computational chemistry

Free keywords: hydrogen bond; matrix isolation; carboxylic acid; computational chemistry; vibrational spectroscopy

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Ministry reporting: Yes

Reporting Year: 2019

JUFO rating: 1