--- title: "Electric-Field Gradients and Magnetic Hyperfine Parameters of Square-Pyramidal [M(CN5)]3- (M = Co, Rh and Ir) Complexes • CBPF Index" description: "CBPF INDEX es el sistema de seguimiento de la producción científica y tecnológica del CBPF. En él se puede obtener la lista de publicaciones de artículos, libros, informes técnicos, etc. de toda la comunidad del CBPF." canonical_url: "https://index.cbpf.br/es/publicacoes/6ad2a767639f62b11adbb5b6" locale: es meta: "og:description": "CBPF INDEX es el sistema de seguimiento de la producción científica y tecnológica del CBPF. En él se puede obtener la lista de publicaciones de artículos, libros, informes técnicos, etc. de toda la comunidad del CBPF." "og:image": "https://index.cbpf.br/_og/d/c_Item%2Ctitulo_~RWxlY3RyaWMtRmllbGQgR3JhZGllbnRzIGFuZCBNYWduZXRpYyBIeXBlcmZpbmUgUGFyYW1ldGVycyBvZiBTcXVhcmUtUHlyYW1pZGFsIDxtYXRoPltNKENONSldMy08L21hdGg-IDxtYXRoPihNID0gQ28sIFJoPC9tYXRoPiBhbmQgPG1hdGg-SXIpPC9tYXRoPiBDb21wbGV4ZXM%2Ctipo_~Tm90YSBkZSBGw61zaWNh%2Ccor_~I2E4MmMwMA%2Cautores_~Uy5SLiBOb2d1ZWlyYTsgRC4gR3VlbnpidXJnZXI%2Cdetalhe_1994%2Csecao_Publicaciones%2Cp_Ii9lcy9wdWJsaWNhY29lcy82YWQyYTc2NzYzOWY2MmIxMWFkYmI1YjYi%2Cs_vkcrZJlji7H3WnhJ.png" "og:image:height": "600" "og:image:type": image/png "og:image:width": "1200" "og:title": "Electric-Field Gradients and Magnetic Hyperfine Parameters of Square-Pyramidal [M(CN5)]3- (M = Co, Rh and Ir) Complexes • CBPF Index" "twitter:image": "https://index.cbpf.br/_og/d/c_Item%2Ctitulo_~RWxlY3RyaWMtRmllbGQgR3JhZGllbnRzIGFuZCBNYWduZXRpYyBIeXBlcmZpbmUgUGFyYW1ldGVycyBvZiBTcXVhcmUtUHlyYW1pZGFsIDxtYXRoPltNKENONSldMy08L21hdGg-IDxtYXRoPihNID0gQ28sIFJoPC9tYXRoPiBhbmQgPG1hdGg-SXIpPC9tYXRoPiBDb21wbGV4ZXM%2Ctipo_~Tm90YSBkZSBGw61zaWNh%2Ccor_~I2E4MmMwMA%2Cautores_~Uy5SLiBOb2d1ZWlyYTsgRC4gR3VlbnpidXJnZXI%2Cdetalhe_1994%2Csecao_Publicaciones%2Cp_Ii9lcy9wdWJsaWNhY29lcy82YWQyYTc2NzYzOWY2MmIxMWFkYmI1YjYi%2Cs_vkcrZJlji7H3WnhJ.png" --- > Index of every page on this site: [llms.txt](https://index.cbpf.br/llms.txt) **Nota de Física****Publicado** # **Electric-Field Gradients and Magnetic Hyperfine Parameters of Square-Pyramidal **\[M(CN5)]3−\\[M(CN\_{5})]^{3-}\\[M(CN5​)]3−** **(M=Co,Rh\(M = Co, Rh\(M=Co,Rh** and **Ir)\Ir)\Ir)** Complexes** **S.R. Nogueira; D. Guenzburger** 1994 [**Descargar PDF **0,7 MB](https://index.cbpf.br/files/publicacao/6ad2a767639f62b11adbb5b6/pdf) [**Contactar al responsable**]() ## **Datos de la publicación**
Autores
S.R. Nogueira; D. Guenzburger
Tipo
Nota de Física
Estado
Publicado
Fecha de publicación
1994
Descripción
Density functional self-consistent spin-polarized calculations with the Discrete Variational method were performed to obtain the electronic structure of the paramagnetic complexes , <math>[Co(CN)_{5}]^3-\,\!</math> <math>[Rh(CN)_{5}]^{3-}\,\!</math> and <math>[Ir(CN)_{5}]^{3-}\,\!</math> of square-pyramidal geometry. All electrons were kept in the variational space. Electric field gradients and magnetic hyperfine parameters at the metal site were computed with the molecular charge and spin densities obtained and compared with experimental values derived by Electron Paramagnetic Resonance. It was found that the Fermi interaction is critically dependent on the angle between the axial and equatorial CN ligands.
Año
1994
Número
CBPF-NF-007/94
Vínculo con tesis
No
Vínculo con beca
No
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