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

Li, Weixing

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

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

Language

eng

Handle URL

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

DOI

https://doi.org/10.15278/isms.2022.FB05

Copyright and License Information

Copyright 2022 held by the authors

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