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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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.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. es_ES
dc.description.sponsorship SPINMOL FP7-ERC-247384 es_ES
dc.description.sponsorship ERC-CoG-647301 DECRESIM es_ES
dc.description.sponsorship MAT2011-22785 es_ES
dc.description.sponsorship MAT2014-56143-R es_ES
dc.description.sponsorship CTQ2014-52758-P es_ES
dc.description.sponsorship Prometeo Program of excellence es_ES
dc.language.iso en es_ES
dc.source José J. Baldoví, Alejandro Gaita-Ariño, Eugenio Coronado, Dalton Trans., 2015, 44, 12535-12538 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 info:eu-repo/semantics/article es_ES
dc.subject.unesco UNESCO::QUÍMICA es_ES
dc.identifier.doi https://doi.org/10.1039/C5DT01839K es_ES
dc.description.abstractenglish 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.identifier.idgrec 109957 es_ES
dc.accrualMethod - es_ES
dc.embargo.terms 0 days es_ES

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