A combined gigahertz and terahertz synchrotron-based Fourier transform infrared spectroscopic investigation of ortho-D-phenol

Chen, Ziqiu

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https://hdl.handle.net/2142/97045 Copy

Description

Title

A combined gigahertz and terahertz synchrotron-based Fourier transform infrared spectroscopic investigation of ortho-D-phenol

Author(s)

Chen, Ziqiu

Contributor(s)

• Zindel, Daniel
• Quack, Martin
• Prentner, Robert
• Fábri, Csaba
• Albert, Sieghard

Issue Date

2017-06-20

Keyword(s)

• Large amplitude motions
• Internal rotation

Abstract

Tunneling switching is a fundamental phenomenon of interest in molecular quantum dynamics including also chiral molecules and parity violation.footnote{M. Quack , textit{Fundamental Symmetries and Symmetry Violations from High-resolution Spectroscopy}, textit{Handbook of High Resolution Spectroscopy, M. Quack and F. Merkt eds.},John Wiley & Sons Ltd, Chichester, New York, 2001, vol. 1, ch. 18, pp. 659-722.}$^{,}$footnote{R. Prentner, M. Quack, J. Stohner and M. Willeke, textit{J. Phys. Chem. A} textbf{119}, 12805-12822 (2015).}$^{,}$footnote {S. Albert, Z. Chen, C. F'{a}bri, R. Prentner M. Quack and D. Zindel, paper at this meeting.} Deuterated phenols have been identified as prototypical achrial candidates.footnote{S. Albert, Ph. Lerch, R. Prentner and M. Quack, textit{Angew. Chem. Int. Ed.} textbf{52}, 346-349 (2013).} We report the high resolution spectroscopic investigation of the ortho-D-phenol in the GHz and THz ranges following our recent discovery of tunneling switching in its isotopomer meta-D-phenol.footnote{label{myfootnote}S. Albert, Z. Chen, C. F'{a}bri,P. Lerch, R. Prentner and M. Quack, emph{Mol.Phys.} textbf{114}, 2751-2768 (2016) and emph{71st International Symposium on Molecular Spectroscopy}, Urbana-Champaign, USA, June 20-24, Talk FE04 (2016).} Here we report new results on ortho-D-phenol.The pure rotational spectra were recorded in the range of 72-117 GHz and assigned to the syn- and anti- structures in the ground and the first excited torsional states. Specific torsional states were assigned based on a comparison of experimental rotational constants with the quasiadiabatic channel reaction path Hamiltonian (RPH) calculations. The torsional fundamental at ~308 cm$^{-1}$ and the first hot band at 275 cm$^{-1}$ were subsequently assigned. The analyses of pure rotational and rovibrational spectra shall be discussed in detail in relation to possible tunneling switching.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Permalink

http://hdl.handle.net/2142/97045

DOI

https://doi.org/10.15278/isms.2017.TD06

Copyright and License Information

Copyright 2017 Ziqiu Chen

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