Speaker
Ms
Adela Asani
(Institute of Chemistry, Faculty of Natural Sciences and Mathematics, Ss. Cyril and Methodius University in Skopje, Skopje, Macedonia)
Description
This study combines IRMPD spectroscopy and DFT calculations to analyze the structure, vibrations, and dynamics of protonated glycine in gas and tagged forms. Anharmonic frequency analyses matched experimental spectra, identifying key O–H and N–H vibrations. Simulations between 4–40 K showed conformational changes with temperature, while He and H₂ tagging stabilized ions and improved spectral resolution. The work offers a clear model for understanding proton transfer and microsolvation in biomolecular ions.
Primary author
Ms
Adela Asani
(Institute of Chemistry, Faculty of Natural Sciences and Mathematics, Ss. Cyril and Methodius University in Skopje, Skopje, Macedonia)
Co-authors
Dr
Blagoja Achevski
Prof.
Ljupcho Pejov
(Institute of Chemistry, Faculty of Natural Sciences and Mathematics, Ss. Cyril and Methodius University in Skopje, Skopje, Macedonia)
Ms
Yui Yamashita
