Medcraft, Chris and Wolf, Robert and Schnell, Melanie (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). pp. 11656-11659. ISSN 1433-7851, 1521-3773
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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 (Re-185 and Re-187), 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.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | BIOMOLECULAR HOMOCHIRALITY; WEAK-INTERACTIONS; MOLECULES; SPECTRA; ENERGIES; BOND; chirality; chirped-pulse Fourier-transform rotational spectroscopy; microwave spectroscopy; nuclear quadrupole coupling; parity violation |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie > Arbeitskreis Prof. Dr. Robert Wolf |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 12 Aug 2019 07:39 |
| Last Modified: | 12 Aug 2019 07:39 |
| URI: | https://pred.uni-regensburg.de/id/eprint/9341 |
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