Raman study of the effects of solvent Lewis basicity on halogen bonding for short-chain primary and secondary iodo-perfluoroalkanes

Raman spectroscopy is used to investigate vibrational frequency shifts in two specific normal modes of 1-iodo-perfluorobutane, 1-iodo-perfluorohexane, and 2-iodo-perfluoropropane when each is mixed with 21 distinct solvents. The two normal modes studied each red-shift upon halogen bonding. The degre...

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Bibliographic Details
Published in:Journal of molecular liquids 2018-12, Vol.271, p.647-654
Main Authors: Mork, L.K., Tat, Vy, Ulness, Darin J., Erickson, Brett G., Gealy, M.W.
Format: Article
Language:English
Subjects:
Binary mixtures
Halogen bonding
Lewis basicity
Raman spectroscopy
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Summary:Raman spectroscopy is used to investigate vibrational frequency shifts in two specific normal modes of 1-iodo-perfluorobutane, 1-iodo-perfluorohexane, and 2-iodo-perfluoropropane when each is mixed with 21 distinct solvents. The two normal modes studied each red-shift upon halogen bonding. The degree of the red-shift is in some sense a measure of the strength of the halogen bond. The shift is correlated with the Lewis base strength of the solvent compound. Data presented here show that the two normal modes respond differently to the basicity of the solvent and hence provide some insight into the halogen bond interaction. [Display omitted] •Iodo-perfluoroalkanes halogen bond to Lewis bases•Halogen bonding shifts the vibrational frequencies of iodo-perfluoroalkanes.•The size of the frequency shift is correlated with basicity of the solvent.•The correlation is best with “soft” Lewis base parameters.
ISSN:0167-7322
1873-3166
DOI:10.1016/j.molliq.2018.09.014