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
Contributing organizations
Related projects
- Vibrational excitation induced chemistry
- Lundell, Jan
- Research Council of Finland
Ministry reporting: Yes
Reporting Year: 2019
JUFO rating: 1