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- W4313408552 abstract "Stimulated by a suggestion of the late Professor Jack D. Dunitz, that perdeuterated Janus face cycloalkanes may be more polar than their unlabelled forms, the deuterated isotopologue of all cis-1,2,3,4,5,6-hexafluorocyclohexane ([2H6]-1a) and all cis-1,2,3,4-tetrafluorocyclopentane ([2H6]-3a) were prepared. Computation at the B3LYP−D3 level indicated that [2H6]-1a is not more polar than its protio form 1, however perdeuterated cyclopentane [2H6]-3a may indeed be more polar than 3, although the magnitude is predicted to be small. None-the-less retention time analysis on a reverse phase GC/MS column of an add-mix of 3 and [2H6]-3a gave some indication that the per-deuterated isotopologue 3a was detected marginally before the unlabelled compound consistent with increased polarity associated with perdeuteration." @default.
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- W4313408552 date "2023-01-31" @default.
- W4313408552 modified "2023-09-28" @default.
- W4313408552 title "Does Perdeuteration Increase the Polarity of Janus Face Cycloalkanes?" @default.
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- W4313408552 doi "https://doi.org/10.1002/hlca.202200177" @default.
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