Structural Elucidation Of Ions Using Chemical Reactions

Jacovella, Ugo

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

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

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

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