Registro completo de metadatos
| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.creator | Pérez, Ana Laura | - |
| dc.creator | Neuman, Nicolás Ignacio | - |
| dc.creator | Baggio, Ricardo Fortunato | - |
| dc.creator | Ramos, Carlos Alberto | - |
| dc.creator | Dalosto, Sergio Daniel | - |
| dc.creator | Rizzi, Alberto Claudio | - |
| dc.creator | Brondino, Carlos Dante | - |
| dc.date | 2018-09-07T15:03:02Z | - |
| dc.date | 2018-09-07T15:03:02Z | - |
| dc.date | 2017-02 | - |
| dc.date | 2018-09-06T18:42:51Z | - |
| dc.date.accessioned | 2019-04-29T15:45:43Z | - |
| dc.date.available | 2019-04-29T15:45:43Z | - |
| dc.date.issued | 2017-02 | - |
| dc.identifier | Pérez, Ana Laura; Neuman, Nicolás Ignacio; Baggio, Ricardo Fortunato; Ramos, Carlos Alberto; Dalosto, Sergio Daniel; et al.; Exchange interaction between S = 1/2 centers bridged by multiple noncovalent interactions: Contribution of the individual chemical pathways to the magnetic coupling; Pergamon-Elsevier Science Ltd; Polyhedron; 123; 2-2017; 404-410 | - |
| dc.identifier | 0277-5387 | - |
| dc.identifier | http://hdl.handle.net/11336/58686 | - |
| dc.identifier | CONICET Digital | - |
| dc.identifier | CONICET | - |
| dc.identifier.uri | http://rodna.bn.gov.ar:8080/jspui/handle/bnmm/301377 | - |
| dc.description | We report EPR and magnetic measurements of diaqua-(pyridine-2,6-dicarboxylato)Copper(II) together with computational calculations. This compound consists of an extended lattice of magnetically equivalent copper(II) ions in which the copper centers are linked by hydrophobic interactions such as π–π, π–metal, and Y–X…π, and hydrogen bonds involving different topologies, viz., [sbnd]Cu[sbnd]Oeq…Oeq[sbnd]Cu[sbnd], [sbnd]Cu[sbnd]Oeq…Oap[sbnd]Cu[sbnd], and [sbnd]Cu[sbnd]Oeq…O[dbnd]C[sbnd]Oeq[sbnd]Cu[sbnd]. The powder EPR spectrum shows nearly axial symmetry with non-resolved hyperfine structure with the copper nucleus, suggesting the presence of intercenter isotropic exchange interactions. Single crystal EPR experiments show a single lorentzian resonance line for all the magnetic field orientations investigated, typical of an extended exchange coupled system. Susceptibility measurements showed weakly antiferromagnetically coupled Cu(II) ions (J = −0.79 (4) cm−1). Using Anderson's exchange narrowing model for the collapse of the hyperfine structure, EPR yielded |J| = 0.6 (1) cm−1. The distinct contributions of the different chemical pathways to the experimentally determined J-value are analyzed through first principle computational calculations. | - |
| dc.description | Fil: Pérez, Ana Laura. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina | - |
| dc.description | Fil: Neuman, Nicolás Ignacio. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina | - |
| dc.description | Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina | - |
| dc.description | Fil: Ramos, Carlos Alberto. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina | - |
| dc.description | Fil: Dalosto, Sergio Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Física del Litoral. Universidad Nacional del Litoral. Instituto de Física del Litoral; Argentina | - |
| dc.description | Fil: Rizzi, Alberto Claudio. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina | - |
| dc.description | Fil: Brondino, Carlos Dante. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Departamento de Física; Argentina | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.language | eng | - |
| dc.publisher | Pergamon-Elsevier Science Ltd | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/https://dx.doi.org/10.1016/j.poly.2016.12.018 | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0277538716306696 | - |
| dc.rights | info:eu-repo/semantics/restrictedAccess | - |
| dc.rights | https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ | - |
| dc.source | reponame:CONICET Digital (CONICET) | - |
| dc.source | instname:Consejo Nacional de Investigaciones Científicas y Técnicas | - |
| dc.source | instacron:CONICET | - |
| dc.subject | COMPUTATIONAL CALCULATION | - |
| dc.subject | COPPER COMPLEX | - |
| dc.subject | EPR | - |
| dc.subject | NONCOVALENT INTERACTION | - |
| dc.subject | SUPEREXCHANGE | - |
| dc.subject | Astronomía | - |
| dc.subject | Ciencias Físicas | - |
| dc.subject | CIENCIAS NATURALES Y EXACTAS | - |
| dc.title | Exchange interaction between S = 1/2 centers bridged by multiple noncovalent interactions: Contribution of the individual chemical pathways to the magnetic coupling | - |
| dc.type | info:eu-repo/semantics/article | - |
| dc.type | info:eu-repo/semantics/publishedVersion | - |
| dc.type | info:ar-repo/semantics/articulo | - |
| Aparece en las colecciones: | CONICET | |
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