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Modeling the magnetic properties of lanthanide complexes: relationship of the REC parameters with Pauling electronegativity and coordination number

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Modeling the magnetic properties of lanthanide complexes: relationship of the REC parameters with Pauling electronegativity and coordination number

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dc.contributor.author	Baldoví, José J.
dc.contributor.author	Gaita Ariño, Alejandro
dc.contributor.author	Coronado Miralles, Eugenio
dc.date.accessioned	2021-05-07T06:32:29Z
dc.date.available	2021-05-08T04:45:05Z
dc.date.issued	2015	es_ES
dc.identifier.citation	José J. Baldoví, Alejandro Gaita-Ariño, Eugenio Coronado, Dalton Trans., 2015, 44, 12535-12538	es_ES
dc.identifier.uri	https://hdl.handle.net/10550/79229
dc.description.abstract	In a previous study, we introduced the Radial Effective Charge (REC) model to study the magnetic properties of lanthanide single ion magnets. Now, we perform an empirical determination of the effective charges (Zi) and radial displacements (Dr) of this model using spectroscopic data. This systematic study allows us to relate Dr and Zi with chemical factors such as the coordination number and the electronegativities of the metal and the donor atoms. This strategy is being used to drastically reduce the number of free parameters in the modeling of the magnetic and spectroscopic properties of f-element complexes.	en_US
dc.description.abstract	In a previous study, we introduced the Radial Effective Charge (REC) model to study the magnetic properties of lanthanide single ion magnets. Now, we perform an empirical determination of the effective charges (Zi) and radial displacements (Dr) of this model using spectroscopic data. This systematic study allows us to relate Dr and Zi with chemical factors such as the coordination number and the electronegativities of the metal and the donor atoms. This strategy is being used to drastically reduce the number of free parameters in the modeling of the magnetic and spectroscopic properties of f-element complexes.	es_ES
dc.description.sponsorship	European Research Council	es_ES
dc.description.sponsorship	Ministerio de Economía y Competitividad	es_ES
dc.description.sponsorship	Generalitat Valenciana (Prometeo Program of excellence)	es_ES
dc.language.iso	en	es_ES
dc.title	Modeling the magnetic properties of lanthanide complexes: relationship of the REC parameters with Pauling electronegativity and coordination number	es_ES
dc.type	journal article	es_ES
dc.subject.unesco	UNESCO::QUÍMICA	es_ES
dc.identifier.doi	10.1039/C5DT01839K	es_ES
dc.identifier.idgrec	109957	es_ES
dc.accrualmethod	-	es_ES
dc.embargo.terms	0 days	es_ES
dc.relation.projectID	SPINMOL FP7-ERC-247384
dc.relation.projectID	ERC-CoG-647301 DECRESIM
dc.relation.projectID	MAT2011-22785
dc.relation.projectID	MAT2014-56143-R
dc.relation.projectID	CTQ2014-52758-P