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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
Halogen bond in the water adduct of chloropentafluoroethane revealed by rotational spectroscopy
Junhua Chen1, Juan Wang1, Yang Zheng1
1Department of Chemistry, School of Chemistry and Chemical Engineering, Chongqing University, Daxuecheng South Rd. 55, 401331 Chongqing, China.
Abstract:
The rotational spectrum of the chloropentafluoroethane-water complex has been investigated by pulsed jet Fourier transform microwave spectroscopy. Experimental rotational and quadrupole coupling constants of five isotopologues imply that the two subunits are held together by an almost linear C-Cl⋯O halogen bond. Water lies effectively in the symmetric plane of C2F5Cl and undergoes a plausible free internal rotation. The experimental structure and dissociation energies of the complex are also deduced.
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