Vibrational and electronic spectra of protonated vanillin: exploring protonation sites and isomerisation.

Autor: Gutiérrez-Quintanilla A; CNRS, Aix Marseille Univ., PIIM, Physique des Interactions Ioniques et Moléculaires, UMR 7345, 13397 Marseille, France. jennifer.noble@univ-amu.fr.; Université de Pau et des Pays de l'Adour, E2S UPPA, CNRS, IPREM, Pau, France., Moge B; Univ. Lyon, Université Claude Bernard Lyon 1, CNRS, Institut Lumière Matière, F-69622 Villeurbanne, France., Compagnon I; Univ. Lyon, Université Claude Bernard Lyon 1, CNRS, Institut Lumière Matière, F-69622 Villeurbanne, France., Noble JA; CNRS, Aix Marseille Univ., PIIM, Physique des Interactions Ioniques et Moléculaires, UMR 7345, 13397 Marseille, France. jennifer.noble@univ-amu.fr.
Jazyk: angličtina
Zdroj: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2024 May 29; Vol. 26 (21), pp. 15358-15368. Date of Electronic Publication: 2024 May 29.
DOI: 10.1039/d3cp05573f
Abstrakt: Photofragmentation spectra of protonated vanillin produced under electrospray ionisation (ESI) conditions have been recorded in the 3000-3700 cm -1 (vibrational) and 225-460 nm (electronic) ranges, using room temperature IRMPD (infrared multiphoton dissociation) and cryogenic UVPD (ultraviolet photodissociation) spectroscopies, respectively. The cold (∼50 K) electronic UVPD spectrum exhibits very well resolved vibrational structure for the S 1 ← S 0 and S 3 ← S 0 transitions, suggesting long excited state dynamics, similar to its simplest analogue, protonated benzaldehyde. The experimental data were combined with theoretical calculations to determine the protonation site and configurational isomer observed in the experiments.
Databáze: MEDLINE