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dc.contributor.authorGiannoulis, Angeliki
dc.contributor.authorMotion, Claire Louise
dc.contributor.authorOranges, Maria
dc.contributor.authorBuehl, Michael
dc.contributor.authorSmith, Graham Murray
dc.contributor.authorBode, Bela E.
dc.date.accessioned2019-01-05T00:33:32Z
dc.date.available2019-01-05T00:33:32Z
dc.date.issued2018-01-28
dc.identifier.citationGiannoulis , A , Motion , C L , Oranges , M , Buehl , M , Smith , G M & Bode , B E 2018 , ' Orientation selection in high-field RIDME and PELDOR experiments involving low-spin Co II ions ' , Physical Chemistry Chemical Physics , vol. 20 , no. 4 , pp. 2151-2154 . https://doi.org/10.1039/C7CP07248Aen
dc.identifier.issn1463-9076
dc.identifier.otherPURE: 251821894
dc.identifier.otherPURE UUID: 989c7b6a-e4ed-4a6a-b934-fbea8ef44e86
dc.identifier.otherScopus: 85041188703
dc.identifier.otherORCID: /0000-0002-1095-7143/work/48131797
dc.identifier.otherORCID: /0000-0002-3384-271X/work/40266954
dc.identifier.otherORCID: /0000-0001-6578-7412/work/59464786
dc.identifier.otherWOS: 000423505500002
dc.identifier.urihttp://hdl.handle.net/10023/16783
dc.descriptionAG and CLM were supported by postgraduate fellowships by the EPSRC-funded doctoral training centre ‘integrated magnetic resonance’. This work was supported by the European Union Seventh Framework Programme (PCIG12-GA-2012-334496). The W-band instrument was developed under the U.K. Research Councils Basic Technology Program (grant EP/F039034/1) and the Q-band equipment is supported by the Wellcome Trust (099149/Z/12/Z).en
dc.description.abstractOrientation selective (OS) RIDME and PELDOR were conducted on a low-spin CoII complex coordinated by two nitroxide (NO) labelled 2,2':6',2''-terpyridine ligands. Co-NO RIDME at W- and Q-band gave insight into the relative orientation between the Co-NO interspin vector (rCo-NO) and the NO moiety. This was further supported by W-band Co-NO PELDOR that also allowed elucidating the relative orientation of the CoII and NO g-tensors. Differences to earlier predictions were confirmed by DFT calculations. Finally, NO-NO PELDOR allowed retrieving the mutual orientations between the NO-NO interspin vector (rNO-NO) and the NO moieties. The results demonstrate that OS-RIDME and -PELDOR can provide geometric and electronic structure information on a system containing a CoII ion and two nitroxides. Especially, the high sensitivity and ease of interpretation of RIDME at W-band opens avenues for new applications of CoII as orthogonal spin label.
dc.language.isoeng
dc.relation.ispartofPhysical Chemistry Chemical Physicsen
dc.rights© 2018, the Author(s). This work has been made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at https://doi.org/10.1039/C7CP07248Aen
dc.subjectQC Physicsen
dc.subjectQD Chemistryen
dc.subjectDASen
dc.subjectBDCen
dc.subject.lccQCen
dc.subject.lccQDen
dc.titleOrientation selection in high-field RIDME and PELDOR experiments involving low-spin CoII ionsen
dc.typeJournal articleen
dc.description.versionPostprinten
dc.contributor.institutionUniversity of St Andrews.School of Chemistryen
dc.contributor.institutionUniversity of St Andrews.EaSTCHEMen
dc.contributor.institutionUniversity of St Andrews.School of Physics and Astronomyen
dc.contributor.institutionUniversity of St Andrews.Biomedical Sciences Research Complexen
dc.contributor.institutionUniversity of St Andrews.Centre of Magnetic Resonanceen
dc.identifier.doihttps://doi.org/10.1039/C7CP07248A
dc.description.statusPeer revieweden
dc.date.embargoedUntil2019-01-05


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