Chosen due to its structural similarity with previously characterized chiral tagging candidates, <i>trans</i>-2-fluoro-3-(trifluoromethyl)oxirane (tFTFO) is a small chiral molecule to be investigated, both theoretically and experimentally, as a potential chiral tagging molecule. With a strong, simple rotational spectrum, tFTFO shows promise for applications in chiral analysis through the conversion of enantiomers into spectroscopically distinct diastereomeric species through noncovalent attachment. The rotational spectrum of tFTFO and of its heterodimer with the argon atom is obtained using Fourier transform microwave spectroscopy from 5.6 to 18.1 GHz, and their structures are determined. Initial results show that the structure of the argon complex is distinct from the structures previously described for the 3,3,3-trifluoro-, 3,3-difluoro-, and 3-fluoro-1,2-epoxypropane species, suggesting that the addition of the lone fluorine atom alters bonding in the epoxy moiety.

The microwave spectrum and molecular structure of <i>trans</i>-2-fluoro-3-(trifluoromethyl)oxirane and its complex with the argon atom

ACS Spring Meeting 2021

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.

The microwave spectrum and molecular structure of trans-2-fluoro-3-(trifluoromethyl)oxirane and its complex with the argon atom