Stereochemical configuration and selective excitation of the chiral molecule halothane

Abstract

X-ray single-photon ionization and fragmentation of the chiral molecule halothane (CHBrClCF3) from a racemic mixture have been investigated using the COLTRIMS (Cold Target Recoil Ion Momentum Spectroscopy) technique. Two important facets related to the core ionization of this species are examined: Firstly, the distinction of enantiomers (mirror iso-1 arXiv:1609.07913v1 [physics.chem-ph] 26 Sep 2016 mers) and the determination of absolute configuration on a single-molecule level by four-body Coulomb explosion; secondly, the interplay of siteselective excitation and fragmentation patterns. These results are easily transferrable to other molecular species and show the wealth of features that can be investigated by coincidence spectroscopy of chiral molecules.

Multiple ionization and Coulomb explosion of molecules, molecular complexes, clusters and solid surfaces

“…In this case, the probability of chirality-sensitive coincidence events dramatically decreases as the number of fragment pathway increases. Pitzer et al showed that incomplete fragmentation (partial break-ups), corresponding to four-fold and even threefold coincidence events of five-atom (CHBrClF)[244] and eight-atom (CHClBrCF3) molecules[245], can also be used to identify enantiomers. In addition, the same authorsexamined site-selective excitation of chiral C*HClBr−CF3 containing two carbon atoms by varying the photon energy so that only the stereogenic carbon center C* (299.0 eV) or both carbon atoms (305.0 eV) are excited [245].…”

Closed-loop recycling of rare liquid samples for gas-phase experiments

“…We achieved a recycling efficiency of >95 % per cycle. Experiments with this recycling scheme have successfully been performed using methyloxirane (C3H6O) [33][34][35], bromo-chloro-fluoro-methane [9,10,36,37], halothane [38], trifluoro-methyloxirane (C3H3F3O), and deuterated formic acid (CHOOD) [39], with vapor pressures from 10 to 600 mbar.…”

Investigating Absolute Stereochemical Configuration with Coulomb Explosion Imaging

“…A first step was performed recently by recording the Coulomb Explosion of a racemic mixture of halothane (2-bromo-2-chloro-1,1,1-trifluoroethane, CHBrClCF 3 ). [20] One of the fragmentation pathways yielded the fragments CH + , Cl + , Br + and CF 3 + . Although there is some background present, a good separation of enantiomers can be observed.…”