Issue 21, 2024

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

Abstract

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.

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

Supplementary files

Article information

Article type
Paper
Submitted
16 11 2023
Accepted
25 4 2024
First published
13 5 2024
This article is Open Access
Creative Commons BY-NC license

Phys. Chem. Chem. Phys., 2024,26, 15358-15368

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

A. Gutiérrez-Quintanilla, B. Moge, I. Compagnon and J. A. Noble, Phys. Chem. Chem. Phys., 2024, 26, 15358 DOI: 10.1039/D3CP05573F

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. You can use material from this article in other publications, without requesting further permission from the RSC, provided that the correct acknowledgement is given and it is not used for commercial purposes.

To request permission to reproduce material from this article in a commercial publication, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party commercial publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements