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Janus face aspect of all-cis 1,2,3,4,5,6-hexafluorocyclohexane dictates remarkable anion and cation interactions in the gas phase

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Author(s)

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

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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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Original languageEnglish
Pages (from-to)7460-7463
JournalJournal of the American Chemical Society
Volume138
Issue number24
Early online date5 May 2016
DOIs
Publication statusPublished - 22 Jun 2016

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