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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
Subject(s):Instrument/Technique Demonstration
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.
Issue Date:2014-06-17
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:Medcraft, C.; Schnell, M.; Merz, S.; Schmitz, D.; Shubert, V.A.; Betz, T. CHARACTERISATION AND CONTROL OF COLD CHIRAL COMPOUNDS. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.TB01
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/50894
DOI:10.15278/isms.2014.TB01
Rights Information:Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/
Date Available in IDEALS:2014-09-17
2015-04-14


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