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J Am Chem Soc. 2016 Jun 22;138(24):7460-3. doi: 10.1021/jacs.6b02856. Epub 2016 May 12.

Janus Face Aspect of All-cis 1,2,3,4,5,6-Hexafluorocyclohexane Dictates Remarkable Anion and Cation Interactions In the Gas Phase.

Journal of the American Chemical Society

Blake E Ziegler, Michael Lecours, Rick A Marta, Joshua Featherstone, Eric Fillion, W Scott Hopkins, Vincent Steinmetz, Neil S Keddie, David O'Hagan, Terrance B McMahon

Affiliations

  1. Department of Chemistry, University of Waterloo , Waterloo, Ontario Canada N2L 3G1.
  2. Laboratoire Chimie Physique-CLIO , Bâtiment 201, Campus Universitaire d'Orsay, Orsay France , 91405.
  3. EastCHEM School of Chemistry, University of St. Andrews , North Haugh, St. Andrews KY16 9ST, United Kingdom.

PMID: 27149387 DOI: 10.1021/jacs.6b02856

Abstract

Experiments have been carried out in which electrospray ionization has been used to generate ionic complexes of all-cis 1,2,3,4,5,6 hexafluorocyclohexane. These complexes were subsequently mass isolated in a quadrupole ion trap mass spectrometer and then irradiated by the tunable infrared output of a free electron laser in the 800-1600 cm(-1) range. From the frequency dependence of the fragmentation of the complexes, vibrational signatures of the complexes were obtained. Computational work carried out in parallel reveals that the complexes formed are very strongly bound and are among the most strongly bound complexes of Na(+) and Cl(-) ever observed with molecular species. The dipole moment calculated for the heaxafluorocyclohexane is very large (∼7 D), and it appears that the bonding in each of the complexes has a significant electrostatic contribution.

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