University of Illinois Urbana-Champaign

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

Chen, Ziqiu

Content Files
2285.pdf
838595.pptx
ISMS17_Phenol.pdf

Permalink

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

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
Date of Ingest
  • 2017-07-27T20:15:36Z
  • 2018-01-29T23:06:27Z
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
Genre of Resource
Conference Paper / Presentation
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

Owning Collections

Abstracts & Presentations - 2017 International Symposium on Molecular Spectroscopy PRIMARY