Structural Isomerization Of The Gas Phase 2-norbornyl Cation Revealed With Infrared Spectroscopy And Computational Chemistry

Mauney, Daniel

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https://hdl.handle.net/2142/50854 Copy

Description

Title

Structural Isomerization Of The Gas Phase 2-norbornyl Cation Revealed With Infrared Spectroscopy And Computational Chemistry

Author(s)

Mauney, Daniel

Contributor(s)

• Duncan, Michael A.
• Mosley, Jonathan

Issue Date

2014-06-17

Keyword(s)

Mini-symposium: Beyond the Mass-to-Charge Ratio: Spectroscopic Probes of the Structures of Ions

Abstract

"\begin{wrapfigure}{l}{0pt} \includegraphics[scale=0.3]{TOC_Graphic.eps} \end{wrapfigure} The non-classical structure of the 2-norborny cation (\chem{C_7H_{11}}$^{+}$) which was at the center of ""the most heated chemical controversy of our time""\footnote{Schleyer,P.v.R. et. al.; Stable Carbocation Chemistry, John Wiley \& Sons,Inc.; New York, 1997, Cahpter 2} has been observed in the condensed phase and recently using X-ray crystallography. However, no gas phase vibrational spectrum has been collected. The \chem{C_7H_{11}}$^{+}$ cation is produced via \chem{H_3}$^{+}$ protonation of norbornene by pulsed discharge in a supersonic expansion of \chem{H_2}/Ar. Ions are mass-selected and probed using infrared photodissociation spectroscopy. Due to high exothermicity, protonation via \chem{H_3}$^{+}$ leads to a structural isomerization to the global minimum structure 1,3-dimethylcyclopentenyl (DMCP$^{+}$). Experiments are currently being conducted to find softer protonation techniques that could lead to the authentic 2-norbornyl cation."

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/50854

DOI

https://doi.org/10.15278/isms.2014.TG10

Copyright and License Information

Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/

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