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High-resolution spectroscopy of the chiral metal complex [CpRe(CH3)(CO)(NO)]: A potential candidate for probing parity violation

MPG-Autoren
http://pubman.mpdl.mpg.de/cone/persons/resource/persons140396

Medcraft,  C.
Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science, Notkestrasse 85, 22607 Hamburg, Germany;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons22077

Schnell,  M.
Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science, Notkestrasse 85, 22607 Hamburg, Germany;

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Zitation

Medcraft, C., Wolf, R., & Schnell, M. (2014). High-resolution spectroscopy of the chiral metal complex [CpRe(CH3)(CO)(NO)]: A potential candidate for probing parity violation. Angewandte Chemie International Edition, 53(43), 11656-11659. doi:10.1002/anie.201406071.


Zitierlink: http://hdl.handle.net/11858/00-001M-0000-0024-B9B7-C
Zusammenfassung
Heavy-metal containing chiral compounds have been suggested as promising candidates for studying parity-violation effects. We report herein the broadband rotational spectroscopy study of the chiral complex [CpRe-(CH3)(CO)(NO)] in the gas phase. The spectra obtained are very rich due to the two rhenium isotopologues (185Re and 187Re), hyperfine structure arising from the rhenium and nitrogen nuclei, and the asymmetry of the chiral complex. Since rhenium is located very close to the molecular center of mass, the rotational constants for the two rhenium isotopologues are very similar. However they can be differentiated by their characteristic nuclear quadrupole hyperfine splitting patterns. Comparison with calculated nuclear quadrupole coupling constants shows that all-electron relativistic basis sets are necessary for a correct description of the rhenium atom in this type of complex. The present study is an important step towards future precision studies on chiral molecules.