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High‐Resolution Spectroscopy of the Chiral Metal Complex [CpRe(CH 3 )(CO)(NO)]: A Potential Candidate for Probing Parity Violation
Author(s) -
Medcraft Chris,
Wolf Robert,
Schnell Melanie
Publication year - 2014
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201406071
Subject(s) - isotopologue , rhenium , hyperfine structure , quadrupole , rotational spectroscopy , spectroscopy , chemistry , coupling constant , asymmetry , molecule , atomic physics , physics , inorganic chemistry , organic chemistry , quantum mechanics , particle physics
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(CH 3 )(CO)(NO)] in the gas phase. The spectra obtained are very rich due to the two rhenium isotopologues ( 185 Re and 187 Re), 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.