Is the oxygen ‘side-On’, or ‘end-On’ and fluctional, in peroxyl radicals with magnetically equivalent oxygen atoms?

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DOIResolve DOI: http://doi.org/10.1139/V10-071
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TypeArticle
Journal titleCanadian Journal of Chemistry
Volume88
Issue11
Pages10531056; # of pages: 4
Subjectelectron paramagnetic resonance spectroscopy; density-functional theory; group-14 peroxyl radicals
AbstractThe g values that have been measured for the group-14 peroxyls are sufficiently similar to suggest that they all have very similar structures. However, the 17O hyperfine splittings seem to indicate that tin peroxyls have structures that differ from their lighter group-14 analogs. We hypothesize that the oxygen atoms in tin peroxyls are magnetically equivalent because they undergo a rapid 1,2-shift. Density-functional and wave-function theory calculations support this view.
Publication date
LanguageEnglish
AffiliationNRC Steacie Institute for Molecular Sciences; National Research Council Canada; National Institute for Nanotechnology
Peer reviewedYes
NPARC number17653052
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Record identifierc9863aad-e82c-42b7-ad27-c29fd7354d2f
Record created2011-03-31
Record modified2016-05-09
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