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Theoretical study of the electronic properties and exchange coupling in a Ni-4 cubane like single-molecule magnet

Authordc.contributor.authorVenegas Yazigi, Diego 
Authordc.contributor.authorCano, Joan es_CL
Authordc.contributor.authorRuiz, Eliseo es_CL
Authordc.contributor.authorAlvarez, Santiago es_CL
Admission datedc.date.accessioned2009-06-24T15:23:49Z
Available datedc.date.available2009-06-24T15:23:49Z
Publication datedc.date.issued2006-10-01
Cita de ítemdc.identifier.citationPHYSICA B-CONDENSED MATTER Volume: 384 Issue: 1-2 Pages: 123-125 Published: OCT 1 2006en
Identifierdc.identifier.issn0921-4526
Identifierdc.identifier.urihttp://repositorio.uchile.cl/handle/2250/120704
Abstractdc.description.abstractDensity functional theory (DFT) calculations on the tetranuclear Ni(II) complex [Ni-4(C5H11O3)(4) (CH3CN)(4)](NO3)(4)center dot 1.33NaNO(3), have been made in order to explain the exchange magnetic phenomenon. Two ferromagnetic exchange coupling constants were found (J(1) = +13.27 cm(-1) and J(2) = + 12.86 cm(-1)) and these values are close to each other and consistent with the structural parameters of the complex.en
Lenguagedc.language.isoenen
Publisherdc.publisherELSEVIERen
Keywordsdc.subjectTRANSITION-METAL-COMPLEXESen
Títulodc.titleTheoretical study of the electronic properties and exchange coupling in a Ni-4 cubane like single-molecule magneten
Document typedc.typeArtículo de revistaen


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