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Type: Artigo de periódico
Title: Synthesis, Characterization, Dft And Td-dft Study Of The [fe(mnt)(l)(f-bunc)2] Octahedral Complex (l = Phen, Bipy)
Author: Morigaki M.K.
Da Silva E.M.
De Melo C.V.P.
Pavan J.R.
Silva R.C.
Blondo A.
Freitas J.C.C.
Dias G.H.M.
Abstract: FeBr2 has reacted with an equivalent of mnt2- (mnt = cis-1,2-dicyanoethylene-1,2-dithiolate) and the a-diimine L (L = 1,10-phenantroline, 2,2'-bipyridine) in THF solution, and followed by adding of t-butyl-isocyanide to give [Fe(mnt)(L)(t-BuNC)2] neutral compound. The products were characterized by infrared, UV-visible and Mössbauer spectroscopy, besides thermogravimetric and conductivity data. The geometry in the equilibrium was calculated by the density functional theory and the electronic spectrum by the time-dependent. The experimental and theoretical, results in good agreement have defined an octahedral geometry with two isocyanide neighbours. The π→ πz.ast; intraligand electronic transition was not observed for cis-isomers in the near-IR spectral, region.
Rights: aberto
Identifier DOI: 
Date Issue: 2009
Appears in Collections:Unicamp - Artigos e Outros Documentos

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