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Type: Artigo de periódico
Title: On The Photofragmentation Of Fe(co)5. Ii. Molecular Orbital Studies Of Fe(co)n, 1≥n≥5
Author: Guenzburger D.
Saitovitch E.M.B.
De Paoli M.A.
Manela H.
Abstract: Self-consistent molecular orbital calculations were performed for Fe(CO)5 and its photofragments Fe(CO)n, 1≤n<5. The discrete variational method was employed, with the Xα local approximation for the exchange interaction. In the case of Fe(CO)5, photoelectron and optical spectra are analyzed, and photochemical behavior is discussed. The Mössbauer isomer shifts and quadrupole splittings are investigated. In the case of Fe(CO)5 and Fe(CO)4, the values derived for these hyperfine interactions are compared to experimental measurements reported in a polyethylene matrix. © 1984 American Institute of Physics.
Rights: aberto
Identifier DOI: 
Date Issue: 1984
Appears in Collections:Unicamp - Artigos e Outros Documentos

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