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Does perdeuteration increase the polarity of Janus face cycloalkanes?
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dc.contributor.author | Fang, Zeguo | |
dc.contributor.author | Yu, Cihang | |
dc.contributor.author | Bühl, Michael | |
dc.contributor.author | O'Hagan, David | |
dc.date.accessioned | 2023-02-02T15:30:08Z | |
dc.date.available | 2023-02-02T15:30:08Z | |
dc.date.issued | 2023-02-20 | |
dc.identifier | 282642467 | |
dc.identifier | 0ba97c82-f825-47d4-a32f-2d3aa6740685 | |
dc.identifier | 85147018048 | |
dc.identifier.citation | Fang , Z , Yu , C , Bühl , M & O'Hagan , D 2023 , ' Does perdeuteration increase the polarity of Janus face cycloalkanes? ' , Helvetica Chimica Acta , vol. 106 , no. 2 , e202200177 . https://doi.org/10.1002/hlca.202200177 | en |
dc.identifier.issn | 0018-019X | |
dc.identifier.other | RIS: urn:4F3CEB4F7D2B4E36F9FE55C690E7382C | |
dc.identifier.other | ORCID: /0000-0002-0510-5552/work/128096993 | |
dc.identifier.other | ORCID: /0000-0002-1095-7143/work/128097420 | |
dc.identifier.uri | https://hdl.handle.net/10023/26891 | |
dc.description | Funding: Authors are grateful to the Chinese Scholarship Council for studentship (Z. F. and C. Y.) support and also the Scientific Research Project of Hubei Education Department (Q20211402) and the open project of Hubei Provincial Key Laboratory of Green Materials for Light Industry (202107B06) for financial support. | en |
dc.description.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. | |
dc.format.extent | 5 | |
dc.format.extent | 6875445 | |
dc.language.iso | eng | |
dc.relation.ispartof | Helvetica Chimica Acta | en |
dc.subject | Synthesis | en |
dc.subject | Fluorine | en |
dc.subject | Deuterium | en |
dc.subject | Cyclopentane | en |
dc.subject | Janus face | en |
dc.subject | Isotopologues | en |
dc.subject | QD Chemistry | en |
dc.subject | NDAS | en |
dc.subject | MCC | en |
dc.subject.lcc | QD | en |
dc.title | Does perdeuteration increase the polarity of Janus face cycloalkanes? | en |
dc.type | Journal article | en |
dc.contributor.institution | University of St Andrews. School of Chemistry | en |
dc.contributor.institution | University of St Andrews. EaSTCHEM | en |
dc.contributor.institution | University of St Andrews. Institute of Behavioural and Neural Sciences | en |
dc.contributor.institution | University of St Andrews. Biomedical Sciences Research Complex | en |
dc.identifier.doi | https://doi.org/10.1002/hlca.202200177 | |
dc.description.status | Peer reviewed | en |
dc.date.embargoedUntil | 2023-01-31 |
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