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−1were 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 ¼ 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.

Zwitter Ionization of Glycine at Outer Space Conditions due to Microhydration by Six Water Molecules / G. Schwaab, R. Pérez de Tudela, D. Mani, N. Pal, T. Kumar Roy, F. Gabas, R. Conte, L. Durán Caballero, M. Ceotto, D. Marx, M. Havenith. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - 128:3(2022), pp. 033001.1-033001.6. [10.1103/PhysRevLett.128.033001]

Zwitter Ionization of Glycine at Outer Space Conditions due to Microhydration by Six Water Molecules

F. Gabas;R. Conte;M. Ceotto;
2022

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−1were 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 ¼ 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.
Settore CHIM/02 - Chimica Fisica
   Divide and Conquer ad initio semiclassical molecular dynamics for spectropic calculations of complex systems (SEMICOMPLEX)
   SEMICOMPLEX
   EUROPEAN COMMISSION
   H2020
   647107
2022
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/900529
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