https://molmod.ugent.be/publication-authors/nm-khaidukov en https://molmod.ugent.be/publications/epr-and-endor-analysis-fe3-impurity-centers-fluoroelpasolite-lattices <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> F. Loncke, H. De Cooman, N.M. Khaidukov, H. Vrielinck, E. Goovaerts, P. Matthys, F. Callens </span> </div> <div class="field field-name-field-journal-title field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> Physical Chemistry Chemical Physics (PCCP) </span> </div> <div class="field field-name-field-vol-iss field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">9 (39), 5320-5329</div> </div> </div> <div class="field field-name-field-a1year field-type-datestamp field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-single" property="dc:date" datatype="xsd:dateTime" content="2007-01-01T00:00:00+01:00">2007</span></div> </div> </div> <div class="field field-name-field-a1-type field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">A1</div> </div> </div> <div class="field field-name-body field-type-text-with-summary field-label-above"> <h3><div class="field-label">Abstract&nbsp;</div></h3> <div class="field-items"> <div class="field-item even" property="content:encoded"><p>Fe3+ ions in hexagonal and cubic fluoroelpasolite crystals (AI2BIMIIIF6) have been investigated in a combined Electron Paramagnetic Resonance (EPR) and Electron Nuclear Double Resonance (ENDOR) study. A detailed analysis of the ENDOR spectra for the nearest 19F and 23Na shells in X (9.5 GHz) and Q band (34 GHz) allowed the complex EPR spectra to be disentangled and to determine the spin Hamiltonian parameters for the various S = 5/2 Fe3+ centres. W-band (95 GHz) EPR measurements as a function of temperature were performed to provide unambiguous evidence about the absolute signs of the Zero Field Splitting (ZFS) and SuperHyperFine (SHF) parameters for Fe3+ in Cs2NaAlF6 as already determined from the ENDOR work. It could be concluded that all principal 19F hyperfine values were positive, in agreement with earlier assignments in the literature for related systems. A comparative analysis of the 19F SHF data for Fe3+ at a perfectly octahedral site in the cubic crystal, and at two slightly trigonally distorted environments in the hexagonal crystals, indicates that the metal-to-ligand distance changes upon doping. The obtained set of parameters concerning one defect in various analogous environments can furthermore be used to test different methods of theoretical calculations for ZFS and SHF values.</p> </div> </div> </div> <div class="field field-name-field-doi field-type-text field-label-above"> <h3><div class="field-label">DOI&nbsp;</div></h3> <div class="field-items"> <div class="field-item even"><div class="tex2jax"><p><a href="http://dx.doi.org/10.1039/B704406B">http://dx.doi.org/10.1039/B704406B</a></p> </div></div> </div> </div> <div class="field field-name-field-a1-file field-type-file field-label-above"> <h3><div class="field-label">Private attachment&nbsp;</div></h3> <div class="field-items"> <div class="field-item even"><span class="file"><img class="file-icon" alt="PDF icon" title="application/pdf" src="/modules/file/icons/application-pdf.png" /> <a href="https://molmod.ugent.be/system/files/07%20phys.%20chem.%20chem.%20phys.%209%205320%20loncke.pdf" type="application/pdf; length=1433512">07 phys. chem. chem. phys. 9 5320 loncke.pdf</a></span></div> </div> </div> Mon, 03 Oct 2011 07:13:34 +0000 wim 506 at https://molmod.ugent.be https://molmod.ugent.be/publications/epr-and-endor-analysis-fe3-impurity-centers-fluoroelpasolite-lattices#comments https://molmod.ugent.be/c1_c3_publications/endor-analysis-fe3-impurity-centres-fluoroelpasolite-lattices <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/f-loncke" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">F. Loncke</a>, <a href="/publication-authors/h-vrielinck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">H. Vrielinck</a>, <a href="/publication-authors/h-de-cooman" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">H. De Cooman</a>, <a href="/publication-authors/nm-khaidukov" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">N.M. Khaidukov</a>, <a href="/publication-authors/f-callens" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">F. Callens</a> </span> </div> <div class="field field-name-field-poster-or-talk field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Poster</div> </div> </div> <div class="field field-name-field-conference-name field-type-text field-label-above"> <h3><div class="field-label">Conference / event / venue&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">39th Annual International Meeting of the ESR Group of the Royal Society of Chemistry: Advanced Techniques and Applications of EPR</div> </div> </div> <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Edinburgh, Schotland</div> </div> </div> <div class="field field-name-field-conference-dates field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-range"><span class="date-display-start" property="dc:date" datatype="xsd:dateTime" content="2006-04-02T00:00:00+02:00">Sunday, 2 April, 2006</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2006-04-05T00:00:00+02:00">Wednesday, 5 April, 2006</span></span></div> </div> </div> Tue, 18 Oct 2011 08:17:56 +0000 wim 842 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/endor-analysis-fe3-impurity-centres-fluoroelpasolite-lattices#comments