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Updated: Oct 4, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Zwitter Ionization of Glycine at Outer Space Conditions due to Microhydration by Six Water Molecules
Gerhard Schwaab1, Ricardo Pérez de Tudela2, Devendra Mani3
1Lehrstuhl für Physikalische Chemie II, Ruhr-Universität Bochum, 44780 Bochum, Germany.
Abstract:
We investigate glycine microsolvation with water molecules, mimicking astrophysical conditions, in our laboratory by embedding these clusters in helium nanodroplets at 0.37 K. We recorded mass selective infrared spectra in the frequency range 1500-1800 cm^{-1} where two bands centered at 1630 and 1724 cm^{-1} were observed. By comparison with the extensive accompanying calculations, the band at 1630 cm^{-1} was assigned to the COO^{-} asymmetric stretching mode of the zwitter ion and the band at 1724 cm^{-1} was assigned to redshifted C=O stretch within neutral clusters. We show that zwitter ion formation of amino acids readily occurs with only few water molecules available even under extreme conditions.
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