Issue 14, 2013

Infrared multiple photon dissociation (IRMPD) spectroscopy of oxazinedyes

Abstract

The structure and energetic properties of four common oxazine dyes, Nile red, Nile blue A, Cresyl violet, and Brilliant cresyl blue, have been probed using a combination of infrared multiple-photon dissociation (IRMPD) spectroscopy and quantum chemical calculations. IRMPD spectra of the protonated dyes, as generated from an electrospray ionization (ESI) source, were collected in the range of 900–1800 cm−1. Vibrational band assignments related to carbonyl and substituted-amine stretches were established from a comparison of the experimental spectra of these related systems as well as from a comparison with spectra generated by density functional theory (DFT) calculations. For Nile red, the thermochemical landscape for protonation at different basic sites was probed using DFT; comparison of IRMPD and calculated IR spectra reveals the site of protonation to be at the carbonyl oxygen. The structural information obtained here in the gas phase pertaining to these important fluorophores is anticipated to provide further insight into their associated intrinsic fluorescent properties in solution.

Graphical abstract: Infrared multiple photon dissociation (IRMPD) spectroscopy of oxazine dyes

Article information

Article type
Paper
Submitted
24 Jun 2012
Accepted
06 Feb 2013
First published
06 Feb 2013

Phys. Chem. Chem. Phys., 2013,15, 5049-5056

Infrared multiple photon dissociation (IRMPD) spectroscopy of oxazine dyes

R. J. Nieckarz, J. Oomens, G. Berden, P. Sagulenko and R. Zenobi, Phys. Chem. Chem. Phys., 2013, 15, 5049 DOI: 10.1039/C3CP00158J

To request permission to reproduce material from this article, 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 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