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dc.contributor.authorZiegler, Blake
dc.contributor.authorLecours, Michael
dc.contributor.authorMarta, Rick
dc.contributor.authorFeatherstone, Joshua
dc.contributor.authorFillion, Eric
dc.contributor.authorHopkins, W. Scott
dc.contributor.authorSteinmetz, Vincent
dc.contributor.authorKeddie, Neil Steven
dc.contributor.authorO'Hagan, David
dc.contributor.authorMcMahon, Terrance
dc.date.accessioned2017-05-05T23:33:52Z
dc.date.available2017-05-05T23:33:52Z
dc.date.issued2016-06-22
dc.identifier.citationZiegler , B , Lecours , M , Marta , R , Featherstone , J , Fillion , E , Hopkins , W S , Steinmetz , V , Keddie , N S , O'Hagan , D & McMahon , T 2016 , ' 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 , vol. 138 , no. 24 , pp. 7460-7463 . https://doi.org/10.1021/jacs.6b02856en
dc.identifier.issn0002-7863
dc.identifier.otherPURE: 242548042
dc.identifier.otherPURE UUID: bc316db1-7d7b-424d-9e59-6e6ee494594b
dc.identifier.otherScopus: 84976385281
dc.identifier.otherORCID: /0000-0002-9502-5862/work/35745200
dc.identifier.otherWOS: 000378584600005
dc.identifier.urihttp://hdl.handle.net/10023/10715
dc.descriptionThe authors acknowledge support in the form of NSERC (Canada) Discovery Grants to EF, WSH, and TBM and an EPSRC (UK) responsive mode grant to DO’H and NSK is gratefully acknowledged.en
dc.description.abstractExperiments 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.
dc.language.isoeng
dc.relation.ispartofJournal of the American Chemical Societyen
dc.rightsCopyright © 2016 American Chemical Society. This work is made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at https://dx.doi.org/10.1021/jacs.6b02856en
dc.subjectQD Chemistryen
dc.subjectNDASen
dc.subject.lccQDen
dc.titleJanus face aspect of all-cis 1,2,3,4,5,6-hexafluorocyclohexane dictates remarkable anion and cation interactions in the gas phaseen
dc.typeJournal articleen
dc.description.versionPostprinten
dc.contributor.institutionUniversity of St Andrews.School of Chemistryen
dc.contributor.institutionUniversity of St Andrews.EaSTCHEMen
dc.contributor.institutionUniversity of St Andrews.Biomedical Sciences Research Complexen
dc.identifier.doihttps://doi.org/10.1021/jacs.6b02856
dc.description.statusPeer revieweden
dc.date.embargoedUntil2017-05-05
dc.identifier.urlhttp://pubs.acs.org/doi/suppl/10.1021/jacs.6b02856en


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