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

• DOI: 10.1021/jacs.6b02856
• Publication Date: 2016-05-05T18:55:45Z
• Authors: 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
• Keywords: ION-CYCLOTRON RESONANCE; ETHER COMPLEXES; NDAS; 500; BOND-DISSOCIATION ENERGIES; 540; QD Chemistry; 01 natural sciences; 0104 chemical sciences; [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry; QD; BDC

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