| Title: |
Vibrational and electronic spectra of protonated vanillin: exploring protonation sites and isomerisation |
| Authors: |
Gutiérrez-Quintanilla, Alejandro; Moge, Baptiste; Compagnon, Isabelle; Noble, Jennifer, A |
| Contributors: |
Institut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux (IPREM); Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS); iLM - Structure et dynamique multi-échelle des édifices moléculaires (iLM - DYNAMO); Institut Lumière Matière Villeurbanne (ILM); Université Claude Bernard Lyon 1 (UCBL); Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL); Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS); Physique des interactions ioniques et moléculaires (PIIM); Aix Marseille Université (AMU)-Centre National de la Recherche Scientifique (CNRS); ANR-21-CE30-0004,HYDRAE,Spectroscopie électronique des radicaux (dés)hydrogénés(2021) |
| Source: |
ISSN: 1463-9076. |
| Publisher Information: |
CCSD; Royal Society of Chemistry |
| Publication Year: |
2024 |
| Collection: |
HAL e2s UPPA (Université de Pau et des Pays de l'Adour) |
| Subject Terms: |
Excited states; Photodissociation; Protonation; [CHIM]Chemical Sciences; [CHIM.COOR]Chemical Sciences/Coordination chemistry |
| Description: |
International audience ; 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 S1 ← S0 and S3 ← S0 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 |
| Document Type: |
article in journal/newspaper |
| Language: |
English |
| DOI: |
10.1039/d3cp05573f |
| Availability: |
https://univ-pau.hal.science/hal-04589698; https://univ-pau.hal.science/hal-04589698v1/document; https://univ-pau.hal.science/hal-04589698v1/file/d3cp05573f.pdf; https://doi.org/10.1039/d3cp05573f |
| Rights: |
info:eu-repo/semantics/OpenAccess |
| Accession Number: |
edsbas.375EFFB8 |
| Database: |
BASE |