A1 Journal article (refereed)
Complexes of Glycolic Acid with Nitrogen Isolated in Argon Matrices. II : Vibrational Overtone Excitations (2019)

Kosendiak, I., Ahokas, J. M., Krupa, J., Lundell, J., & Wierzejewska, M. (2019). Complexes of Glycolic Acid with Nitrogen Isolated in Argon Matrices. II : Vibrational Overtone Excitations. Molecules, 24(18), Article 3245. https://doi.org/10.3390/molecules24183245

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: 3245

Publisher: MDPI

Publication country: Switzerland

Publication language: English

DOI: https://doi.org/10.3390/molecules24183245

Publication open access: Openly available

Publication channel open access: Open Access channel

Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/65487

Abstract

Structural changes of glycolic acid (GA) complex with nitrogen induced by selective overtone excitation of the νOH mode were followed in argon matrices using FTIR spectroscopy. For the most stable SSC1 complex present in different trapping sites directly upon deposition site, selective changes in the νOH region were achieved upon near-infrared irradiation. Simultaneously, new conformers of the GA…N2 complex were formed, giving rise to several sets of bands in the νOH and νC=O regions of the spectra. Both position and intensity of new absorptions appeared to be highly sensitive on the wavelength of radiation used, as well as on the annealing of the matrix. Based on theoretical calculations at different levels of theory, an assignment of the observed bands is proposed and discussed.

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

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

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Ministry reporting: Yes

VIRTA submission year: 2019

JUFO rating: 1