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University of Illinois Urbana-Champaign

Characterisation And Control Of Cold Chiral Compounds

Medcraft, Chris

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https://hdl.handle.net/2142/50894

Description

Title
Characterisation And Control Of Cold Chiral Compounds
Author(s)
Medcraft, Chris
Contributor(s)
  • Schnell, Melanie
  • Merz, Simon
  • Schmitz, David
  • Shubert, V. Alvin
  • Betz, Thomas
Issue Date
2014-06-17
Keyword(s)
Instrument/Technique Demonstration
Date of Ingest
  • 2014-09-17T16:55:19Z
  • 2015-04-14T18:38:53Z
Abstract
\begin{wrapfigure}{r}{0pt} \includegraphics[scale=0.375]{abstractpic.eps} \end{wrapfigure} The rotational spectrum of the chiral molecule CpReCH$_{3}$(CO)(NO) (Cp=cyclopentadienyl) has been measured between 2 and 8.5\,GHz using a chirped-pulse FTMW spectrometer. Rotational and nuclear quadrupole constants for the nitrogen and both rhenium isotopes ($^{185}$Re \& $^{187}$Re) have determined. Initial assignment was hampered by the large coupling constants for the rhenium nuclei ($\chi_{xx}$=720.21 and 680.55\,MHz for $^{185}$Re and $^{187}$Re, respectively) and the barely resolved splitting due to the nitrogen nucleus. Large (100-300\,MHz) off-diagonal quadrupole coupling terms ($\chi_{ab}$ and $\chi_{bc}$) for the rhenium nuclei also complicated the fitting. Relativistic corrections were required to reproduce experimental results in $\it{ab}$ $\it{initio}$ calculations. This molecule is of particular interest due to a high energy difference between enantiomers due to parity violation. For the related molecule CpRe(CO)I(NO), a frequency difference in rotational transitions of a few hertz is anticipated. A high-resolution, cavity-based microwave spectrometer is being commissioned with the aim of approaching this level of precision.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
English
Permalink
http://hdl.handle.net/2142/50894
DOI
https://doi.org/10.15278/isms.2014.TB01
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/

Owning Collections

Abstracts & Presentations - 2014 International Symposium on Molecular Spectroscopy PRIMARY