Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/98545
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.
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Address: http://www.scopus.com/inward/record.url?eid=2-s2.0-0000690197&partnerID=40&md5=23cf65fc96a56aff70e9a373a44f49da
Date Issue: 1984
Appears in Collections:Unicamp - Artigos e Outros Documentos

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