UV spectroscopy of cold ions as a probe of the protonation site

Physical Chemistry Chemical Physics : PCCP
Géraldine FéraudC Jouvet

Abstract

The best determination of the most stable protonation site in aromatic molecules relies nowadays on the IR spectroscopy and ab initio calculations. It appears that these methods are not necessarily unambiguous and cannot always be safely employed. We present in this paper an example showing that electronic spectroscopy of cold ions complemented with ab initio calculations gives clear results on the protonation site. In the example given on the aminophenol isomers (in ortho, meta and para positions), the protonation site is assigned from the electronic spectroscopy and in particular we show that for the meta isomer the proton is not on the amino group as observed for the other isomers. It shows also that the protonation site is not conserved in the electrospray evaporation-ionization process.

References

Jul 13, 2006·The Journal of Physical Chemistry. a·Otto DopferSimonetta Fornarini
Oct 3, 2007·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Jean-Yves SalpinPhilippe Maitre
Apr 10, 2008·The Journal of Chemical Physics·Marko SchreiberWalter Thiel
Jan 9, 2009·Angewandte Chemie·Zhixin Tian, Steven R Kass
May 1, 2009·The Journal of Physical Chemistry. a·Michal F RodeOtto Dopfer
Nov 18, 2009·The Journal of Chemical Physics·Dawei ZhaoOtto Dopfer
Mar 6, 2010·Journal of the American Chemical Society·Natalia S NagornovaOleg V Boyarkin
Apr 1, 2011·Journal of the American Chemical Society·Michael Z KamrathMark A Johnson
Apr 8, 2011·Journal of the American Society for Mass Spectrometry·J Richard Joyce, Don S Richards
Jun 9, 2012·The Journal of Physical Chemistry. a·B BandyopadhyayM A Duncan
Apr 25, 2013·The Journal of Physical Chemistry. a·Ivan AlataChristophe Jouvet
Feb 5, 2014·Physical Chemistry Chemical Physics : PCCP·Géraldine FéraudChristophe Jouvet
Feb 28, 2014·The Journal of Physical Chemistry. a·Marcela C CapelloGustavo A Pino
Apr 23, 2014·Physical Chemistry Chemical Physics : PCCP·Matias BerdakinGustavo A Pino
Jan 2, 2014·The Journal of Physical Chemistry Letters·Debora ScuderiAnne Zehnacker-Rentien
Aug 9, 2011·Journal of Chemical Theory and Computation·Robert SendFilipp Furche

❮ Previous
Next ❯

Citations

Aug 25, 2015·The Journal of Chemical Physics·Natalia Esteves-LópezChristophe Jouvet
Nov 2, 2016·The Journal of Physical Chemistry. a·Edward Matthews, Caroline E H Dessent
Mar 17, 2017·The Journal of Physical Chemistry. a·Géraldine FéraudChristophe Jouvet
Apr 6, 2017·Chemistry, an Asian Journal·Jennifer Anna NobleChristophe Jouvet
Jun 27, 2017·Physical Chemistry Chemical Physics : PCCP·Edward Matthews, Caroline E H Dessent
Feb 17, 2018·Physical Chemistry Chemical Physics : PCCP·Jennifer A NobleChristophe Jouvet
Jan 12, 2021·Journal of the American Chemical Society·Samuel J P MarltonAdam J Trevitt
Mar 16, 2021·Physical Chemistry Chemical Physics : PCCP·Han Jun EunNam Joon Kim
Jul 21, 2017·The Journal of Physical Chemistry. a·James N BullEvan J Bieske
May 6, 2020·The Journal of Physical Chemistry Letters·Samuel J P MarltonAdam J Trevitt
Aug 16, 2021·Mass Spectrometry Reviews·František Tureček
Jan 4, 2018·The Journal of Physical Chemistry. a·James P BezzinaAdam J Trevitt
Nov 16, 2021·The Journal of Physical Chemistry Letters·Emil VogtSteen Brøndsted Nielsen

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.