The fragmentation of glycine (NHCHCOOH) has been studied by photoelectron-photoion coincidence, PEPICO, experiments at 60 eV photon energy. Glycine practically fragments at the ionization threshold, with the charge being on the HNCH moiety, due to ejection of an electron from the nitrogen lone pair of the highest occupied molecular orbital. To observe the formation of the complementary cation COOH further energy is needed. The flexibility with respect to rotation about the C-C, C-N and C-O bonds makes glycine exist in the gas phase in several conformers of both C and C point group symmetry in the neutral as well as ion states. The ionization can lead to stabilization of some conformations, rearrangements and, last but not least, H migration between the two moieties. The results of these experiments prove the sensitivity of PEPICO to pin point all these processes.

Insights into the dissociative ionization of glycine by PEPICO experiments

Chiarinelli J;Bolognesi P;Castrovilli MC;Avaldi L
2018

Abstract

The fragmentation of glycine (NHCHCOOH) has been studied by photoelectron-photoion coincidence, PEPICO, experiments at 60 eV photon energy. Glycine practically fragments at the ionization threshold, with the charge being on the HNCH moiety, due to ejection of an electron from the nitrogen lone pair of the highest occupied molecular orbital. To observe the formation of the complementary cation COOH further energy is needed. The flexibility with respect to rotation about the C-C, C-N and C-O bonds makes glycine exist in the gas phase in several conformers of both C and C point group symmetry in the neutral as well as ion states. The ionization can lead to stabilization of some conformations, rearrangements and, last but not least, H migration between the two moieties. The results of these experiments prove the sensitivity of PEPICO to pin point all these processes.
2018
Istituto di Struttura della Materia - ISM - Sede Roma Tor Vergata
glycine
PEPICO
syncrotron radiation
mass spectrometry
PES
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/366237
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