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How inert, perturbing, or interacting are cryogenic matrices? A combined spectroscopic (infrared, electronic, and x-ray absorption) and DFT investigation of matrix-isolated Iron, Cobalt, Nickel, and Zinc Dibromides

Wilkin, Owen M.; Harris, Neil; Rooms, John F.; Dixon, Emma L.; Bridgeman, Adam J.; Young, Nigel A.

Authors

Owen M. Wilkin

Neil Harris

John F. Rooms

Emma L. Dixon

Adam J. Bridgeman

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Dr Nigel Young N.A.Young@hull.ac.uk
Senior Lecturer/ Director of Studies/ Deputy Head of Chemistry and Biochemistry/ Industrial Placements Coordinator



Abstract

The interactions of FeBr2, CoBr2, NiBr2 and ZnBr2 with Ne, Ar, Kr, Xe, CH4 and N2 matrices have been investigated using IR, electronic absorption and X-ray absorption spectroscopies, as well as DFT calculations. ZnBr2 is linear in all the matrices. NiBr2 is linear in all but N2 matrices where it is severely bent. For FeBr2 and CoBr2 there is a more gradual change, with evidence of non-linearity in Xe and CH4 matrices as well as N2. In the N2 matrices the presence of νNN modes blue shifted from the “free” N2 values indicates the presence of physisorbed species, and the magnitude of the blue-shift correlates with the shift in the ν3 mode of the metal dibromide. In the case of NiCl2 and NiBr2 chemisorbed species are formed after photolysis, but only if deposition takes place below 10 K. There was no evidence for chemisorbed species for NiF2 and FeBr2 and in the case of CoBr2 the evidence was not strong.

Citation

Wilkin, O. M., Harris, N., Rooms, J. F., Dixon, E. L., Bridgeman, A. J., & Young, N. A. (2018). How inert, perturbing, or interacting are cryogenic matrices? A combined spectroscopic (infrared, electronic, and x-ray absorption) and DFT investigation of matrix-isolated Iron, Cobalt, Nickel, and Zinc Dibromides. The journal of physical chemistry. A, 122(8), 1994-2029. https://doi.org/10.1021/acs.jpca.7b09734

Journal Article Type Article
Acceptance Date Dec 28, 2017
Online Publication Date Feb 19, 2018
Publication Date Mar 1, 2018
Deposit Date Mar 6, 2018
Publicly Available Date Feb 20, 2019
Journal The Journal of Physical Chemistry A
Print ISSN 1089-5639
Electronic ISSN 1520-5215
Publisher American Chemical Society
Peer Reviewed Peer Reviewed
Volume 122
Issue 8
Pages 1994-2029
DOI https://doi.org/10.1021/acs.jpca.7b09734
Keywords Physical and Theoretical Chemistry
Public URL https://hull-repository.worktribe.com/output/719001
Publisher URL https://pubs.acs.org/doi/abs/10.1021/acs.jpca.7b09734
Copyright Statement © 2017 American Chemical Society

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