Argon is used as a structureless probe to explore the electron density away from the plane of haloethylenes.  The rotational spectra of complexes formed by argon with 1-chloro-1-fluoroethylene and with (E)-1-chloro-1,2-difluoroethylene are obtained using both chirped pulse and Balle-Flygare Fouier transform microwave spectroscopy in the 6 � 22 GHz region.  The complexes are nonplanar, and argon is located at a position that maximizes the number of its contacts with heavy atoms, reflecting a fine balance between attractive dispersion interactions with the heavy atoms (carbon and halogen atoms) and hard sphere repulsion.  In both complexes argon binds in the ClCF cavity, whereas in previously studied complexes with 2-chloro-1,1-difluoroethylene and (Z)-1-chloro-2-fluoroethylene, it binds in the ClCCF cavity.

Exploring electron density in haloethylenes via structure determination of gas-phase bimolecular complexes with argon

247th National Meeting (2014)

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