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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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Date
22/06/2016
Author
Ziegler, Blake
Lecours, Michael
Marta, Rick
Featherstone, Joshua
Fillion, Eric
Hopkins, W. Scott
Steinmetz, Vincent
Keddie, Neil Steven
O'Hagan, David
McMahon, Terrance
Funder
EPSRC
EPSRC
Grant ID
EP/H022651/1
EP/L017911/1
Keywords
QD Chemistry
NDAS
BDC
Metadata
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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.
Citation
Ziegler , 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.6b02856
Publication
Journal of the American Chemical Society
Status
Peer reviewed
DOI
https://doi.org/10.1021/jacs.6b02856
ISSN
0002-7863
Type
Journal article
Rights
Copyright © 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.6b02856
Description
The 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.
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  • University of St Andrews Research
URL
https://pubs.acs.org/doi/suppl/10.1021/jacs.6b02856
URI
http://hdl.handle.net/10023/10715

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