University of Illinois Urbana-Champaign

Structural Elucidation Of Ions Using Chemical Reactions

Jacovella, Ugo

Content Files
WL09_1.pdf
5897.pdf

Permalink

https://hdl.handle.net/2142/116878

Description

Title
Structural Elucidation Of Ions Using Chemical Reactions
Author(s)
Jacovella, Ugo
Contributor(s)
  • Thissen, Roland
  • Alcaraz, Christian
  • Romanzin, Claire
  • Rossi, Corentin
Issue Date
2022-06-22
Keyword(s)
Conformers and isomers
Abstract
\noindent \begin{wrapfigure}{l}{0pt} \includegraphics[scale=0.4]{crop1.eps} \end{wrapfigure} \noindent A general method is proposed to disentangle isomeric structures by combining mass spectrometry, tunable synchrotron light source, and quantum-chemistry calculations. Reactive chemical monitoring technique is used and consists in tracking reactivity changes as a function of photoionization energy \textit{i.e.}, internal energy related to isomerization barriers. The capability of this technique will be illustrated with charge transfer reactions of C$_6$H$_4^+$ isomers with allene and propyne.$^a$ The methodology can be generalized using neutral reaction partners with ionization energies forming a chemical ruler to elucidate the ionic structure. It can also serve as a structural probe as a function of photoionization energy, unveiling isomerization routes. \vspace{2cm} \begin{footnotesize} \noindent $^a$ Jacovella \textit{et al.} Structural elucidation of C$_6$H$_4^+${\textperiodcentered} using chemical reaction monitoring: Charge transfer versus bond forming reactions, ChemPhysChem (2021), doi: 10.1002/cphc.202100871 \\ Article picked to be the cover feature \end{footnotesize}
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
eng
Handle URL
https://hdl.handle.net/2142/116878
DOI
https://doi.org/10.15278/isms.2022.WL09
Copyright and License Information
Copyright 2022 held by the authors

Owning Collections

Abstracts & Presentations - 2022 International Symposium on Molecular Spectroscopy PRIMARY