To Be or Not To Be a Molecular Ion: The Role of the Solvent in Photoionization of Arginine
| Autor: | Anna I. Krylov, Bo Xu, Oleg Kostko, Anastasia O. Gunina, Michael I. Jacobs, Musahid Ahmed, Alexandre Barrozo, Kevin R. Wilson |
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| Rok vydání: | 2019 |
| Předmět: |
Quantitative Biology::Biomolecules
Valence (chemistry) 010304 chemical physics Chemistry Polyatomic ion Solvation Protonation Photoionization 010402 general chemistry Mass spectrometry Photochemistry 01 natural sciences 0104 chemical sciences Ab initio quantum chemistry methods Ionization 0103 physical sciences Physics::Atomic and Molecular Clusters General Materials Science Physics::Atomic Physics Physical and Theoretical Chemistry |
| Zdroj: | The journal of physical chemistry letters. 10(8) |
| ISSN: | 1948-7185 |
| Popis: | Application of photoionization mass spectroscopy, a technique capable of assessing protonation states in complex molecules in the gas phase, is challenging for arginine due to its fragility. We report photoionization efficiencies in the valence region of aqueous aerosol particles produced from arginine solutions under various pH and vaporization conditions. By using ab initio calculations, we investigate the stability of different conformers. Our results show that neutral arginine fragments upon ionization in the gas phase but solvation stabilizes the molecular ion, resulting in different photoionization dynamics. We also report the valence-band photoelectron spectra of the aerosol solutions obtained at different pH values. |
| Databáze: | OpenAIRE |
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