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Magneto-Structural Analysis of Iron(III) Keggin Polyoxometalates

dc.contributor.author
Bandeira,Nuno
dc.contributor.author
Sadeghi, Omid
dc.contributor.author
Woods, Toby J.
dc.contributor.author
Zhang, Yuan-Zhu
dc.contributor.author
Schnack, Jürgen
dc.contributor.author
Dunbar, Kim
dc.contributor.author
Nyman, May
dc.contributor.author
Bo, Carles
dc.date.accessioned
2018-01-15T16:04:12Z
dc.date.accessioned
2018-02-15T10:27:28Z
dc.date.accessioned
2024-04-23T10:25:47Z
dc.date.available
2018-02-15T10:45:05Z
dc.date.available
2024-04-23T10:25:47Z
dc.date.issued
2017
dc.identifier.uri
http://hdl.handle.net/2072/305747
dc.description.abstract
<div class="page" title="Page 1"> <div class="section"> <div class="layoutArea"> <div class="column"> <p> <span style="font-size: 10.000000pt; font-family: 'AdvOT2e364b11'">A computational study and magnetic susceptibility measurements of three homonuclear Fe(III) Keggin structures are herein presented: the [FeO</span><span style="font-size: 7.000000pt; font-family: 'AdvOT2e364b11'; vertical-align: -2.000000pt">4</span><span style="font-size: 10.000000pt; font-family: 'AdvOT2e364b11'">@Fe</span><span style="font-size: 7.000000pt; font-family: 'AdvOT2e364b11'; vertical-align: -2.000000pt">12</span><span style="font-size: 10.000000pt; font-family: 'AdvOT2e364b11'">F</span><span style="font-size: 7.000000pt; font-family: 'AdvOT2e364b11'; vertical-align: -2.000000pt">24</span><span style="font-size: 10.000000pt; font-family: 'AdvOT2e364b11'">(</span><span style="font-size: 10.000000pt; font-family: 'AdvOTdd3b7348.I+03'">&mu;</span><span style="font-size: 10.000000pt; font-family: 'AdvOT8608a8d1+22'">&minus;</span><span style="font-size: 10.000000pt; font-family: 'AdvOT2e364b11'">OCH</span><span style="font-size: 7.000000pt; font-family: 'AdvOT2e364b11'; vertical-align: -2.000000pt">3</span><span style="font-size: 10.000000pt; font-family: 'AdvOT2e364b11'">)</span><span style="font-size: 7.000000pt; font-family: 'AdvOT2e364b11'; vertical-align: -2.000000pt">12</span><span style="font-size: 10.000000pt; font-family: 'AdvOT2e364b11'">]</span><span style="font-size: 7.000000pt; font-family: 'AdvOT2e364b11'; vertical-align: 4.000000pt">5</span><span style="font-size: 7.000000pt; font-family: 'AdvOT8608a8d1+22'; vertical-align: 4.000000pt">&minus; </span><span style="font-size: 10.000000pt; font-family: 'AdvOT2e364b11'">anion (</span><span style="font-size: 10.000000pt; font-family: 'AdvOT51c1769e'">1</span><span style="font-size: 10.000000pt; font-family: 'AdvOT2e364b11'">), the [Bi</span><span style="font-size: 7.000000pt; font-family: 'AdvOT2e364b11'; vertical-align: -2.000000pt">6</span><span style="font-size: 10.000000pt; font-family: 'AdvOT2e364b11'">{FeO</span><span style="font-size: 7.000000pt; font-family: 'AdvOT2e364b11'; vertical-align: -2.000000pt">4</span><span style="font-size: 10.000000pt; font-family: 'AdvOT2e364b11'">@Fe</span><span style="font-size: 7.000000pt; font-family: 'AdvOT2e364b11'; vertical-align: -2.000000pt">12</span><span style="font-size: 10.000000pt; font-family: 'AdvOT2e364b11'">O</span><span style="font-size: 7.000000pt; font-family: 'AdvOT2e364b11'; vertical-align: -2.000000pt">12</span><span style="font-size: 10.000000pt; font-family: 'AdvOT2e364b11'">(OH)</span><span style="font-size: 7.000000pt; font-family: 'AdvOT2e364b11'; vertical-align: -2.000000pt">12</span><span style="font-size: 10.000000pt; font-family: 'AdvOT2e364b11'">}(</span><span style="font-size: 10.000000pt; font-family: 'AdvOTdd3b7348.I+03'">&mu;</span><span style="font-size: 10.000000pt; font-family: 'AdvOT2e364b11'">-O</span><span style="font-size: 7.000000pt; font-family: 'AdvOT2e364b11'; vertical-align: -2.000000pt">2</span><span style="font-size: 10.000000pt; font-family: 'AdvOT2e364b11'">CCCl</span><span style="font-size: 7.000000pt; font-family: 'AdvOT2e364b11'; vertical-align: -2.000000pt">3</span><span style="font-size: 10.000000pt; font-family: 'AdvOT2e364b11'">)</span><span style="font-size: 7.000000pt; font-family: 'AdvOT2e364b11'; vertical-align: -2.000000pt">12</span><span style="font-size: 10.000000pt; font-family: 'AdvOT2e364b11'">]</span><span style="font-size: 7.000000pt; font-family: 'AdvOT2e364b11'; vertical-align: 4.000000pt">+ </span><span style="font-size: 10.000000pt; font-family: 'AdvOT2e364b11'">cation (</span><span style="font-size: 10.000000pt; font-family: 'AdvOT51c1769e'">2</span><span style="font-size: 10.000000pt; font-family: 'AdvOT2e364b11'">) and its polymorph [Bi</span><span style="font-size: 7.000000pt; font-family: 'AdvOT2e364b11'; vertical-align: -2.000000pt">6</span></p>
dc.language.iso
eng
dc.publisher
American Chemical Society
dc.relation
MINECO
dc.relation
I+D+I Severo Ochoa Excellence Accreditation 2014–2018
dc.relation.ispartof
J. Phys. Chem. A
dc.subject.other
Keplerates
dc.subject.other
DFT
dc.subject.other
polyoxometalates
dc.subject.other
Magnetism
dc.title
Magneto-Structural Analysis of Iron(III) Keggin Polyoxometalates
dc.type
info:eu-repo/semantics/article
dc.relation.projectID
CTQ2014-52824-R
dc.relation.projectID
SEV-2013-0319
dc.identifier.doi
https://doi.org/10.1021/acs.jpca.6b10763
dc.rights.accessLevel
info:eu-repo/semantics/openAccess


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