Electron and ion spectroscopy of the cyclo-alanine-alanine dipeptide.
Phys Chem Chem Phys
; 24(10): 5855-5867, 2022 Mar 09.
Article
en En
| MEDLINE
| ID: mdl-35199111
ABSTRACT
The VUV photoionisation and photofragmentation of cyclo-alanine-alanine (cAA) has been studied in a joint experimental and theoretical work. The photoelectron spectrum and the photoelectron-photoion coincidence (PEPICO) measurements, which enable control of the energy being deposited, combined with quantum chemistry calculations, provide direct insight into the cAA molecular stability after photoionisation. The analysis of the ion-neutral coincidence experiments with the molecular dynamics simulations and the exploration of the potential energy surface allows a complete identification of the fragmentation pathways. It has been found that the fragmentation always starts with the ring opening through the C-C bond cleavage, followed by release of neutral CO or HNCO moieties.
Texto completo:
1
Bases de datos:
MEDLINE
Asunto principal:
Alanina
/
Electrones
Idioma:
En
Revista:
Phys Chem Chem Phys
Asunto de la revista:
BIOFISICA
/
QUIMICA
Año:
2022
Tipo del documento:
Article
País de afiliación:
Italia