University of Illinois Urbana-Champaign

Double-proton Transfer Over A Phenyl Ring Revealed By Cp-ftmw Spectroscopy

Li, Weixing

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FB05_1.pptx
6152.pdf

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https://hdl.handle.net/2142/116639

Description

Title
Double-proton Transfer Over A Phenyl Ring Revealed By Cp-ftmw Spectroscopy
Author(s)
Li, Weixing
Contributor(s)
  • Zhou, Mingfei
  • Wang, Guanjun
  • Lv, Dingding
  • Caminati, Walther
  • Schnell, Melanie
  • Tikhonov, Denis
Issue Date
2022-06-24
Keyword(s)
Mini-symposium: Benchmarking in Spectroscopy
Abstract
Our previous work demonstrated that the measurement of pure rotational spectroscopy of “non-polar” dimer of formic acid can be achieved by means of asymmetric H--D substitution.[1] The concerted double proton transfer of the two hydroxyl hydrogens takes place between two equivalent minima and generates a tunneling splitting of 331.6(5) MHz. In this talk, I will discuss the double proton transfer over a phenyl ring in the complexes of formic acid dimer (FAD) with phenyl compounds. For example, in the FAD-fluorobenzene complex, the presence of fluorobenzene as a neighboring molecule does not quench the double proton transfer in the FAD but decreases its tunneling splitting to 267.608(1) MHz.[2] In the FAD-fluorobenzaldehyde complex, the protons transfer does not occur via tunneling, but produces two non-equivalent isomers. Our spectra show that the isotopic substitution at different atomic positions have different influences on the tunneling process. The experiments were carried out by using the CP-FTMW spectrometer in Hamburg and the new-build one in Shanghai. \begin{wrapfigure}{r}{0pt} \includegraphics[scale=0.5]{isms.eps} \end{wrapfigure} [1] Angew. Chem. Int. Ed. 2019, 58, 859 –865. [2] Angew. Chem. Int. Ed. 2021, 60, 25674 –25679.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
eng
Handle URL
https://hdl.handle.net/2142/116639
DOI
https://doi.org/10.15278/isms.2022.FB05
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Copyright 2022 held by the authors

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Abstracts & Presentations - 2022 International Symposium on Molecular Spectroscopy PRIMARY