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

Author	dc.contributor.author	Venegas Yazigi, Diego
Author	dc.contributor.author	Cano, Joan	es_CL
Author	dc.contributor.author	Ruiz, Eliseo	es_CL
Author	dc.contributor.author	Alvarez, Santiago	es_CL
Admission date	dc.date.accessioned	2009-06-24T15:23:49Z
Available date	dc.date.available	2009-06-24T15:23:49Z
Publication date	dc.date.issued	2006-10-01
Cita de ítem	dc.identifier.citation	PHYSICA B-CONDENSED MATTER Volume: 384 Issue: 1-2 Pages: 123-125 Published: OCT 1 2006	en
Identifier	dc.identifier.issn	0921-4526
Identifier	dc.identifier.uri	https://repositorio.uchile.cl/handle/2250/120704
Abstract	dc.description.abstract	Density 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
Lenguage	dc.language.iso	en	en
Publisher	dc.publisher	ELSEVIER	en
Keywords	dc.subject	TRANSITION-METAL-COMPLEXES	en
Título	dc.title	Theoretical study of the electronic properties and exchange coupling in a Ni-4 cubane like single-molecule magnet	en
Document type	dc.type	Artículo de revista