Please use this identifier to cite or link to this item: http://hdl.handle.net/2445/185004
Title: Co/Fe(alpha-Alkyl-tpdt)(2) (x-): Alkyl-Substituted Cobalt and Iron Bis-dithiolenethiophenic Complexes
Author: Silva, Rafaela A. L.
Santos, Rodrigo
Andrade, Marta M.
Santos, Isabel C.
Coutinho, Joana T.
Pereira, Laura C. J.
Waerenborgh, Joao C.
Vieira, Bruno J. C.
Cirera Fernández, Jordi
Ruiz Sabín, Eliseo
Almeida, Manuel
Belo, Dulce
Keywords: Ferro
Lligands
Cobalt
Iron
Ligands
Cobalt
Issue Date: 6-Jul-2020
Publisher: American Chemical Society
Abstract: Tetraphenylphosphonium salts of Co and Fe complexes with alkyl substituted, tert-butyl (tb) and isopropyl (dp), 2,3-thiophenedithiolate (α-tpdt) ligands, namely TPP[Co(α-tb-tpdt)2] (3), TPP2[Fe(α-tb-tpdt)2]2 (4a-b), TPP[Co(α-dp-tpdt)2] (5) and TPP[Fe(α-dp-tpdt)2] (6) were prepared and characterized by cyclic voltammetry, single crystal. X-ray diffraction, magnetic susceptibility measurements and 57Fe Mössbauer spectroscopy Compound 3 and 5 are isostructural with their Au and Ni analogues with a square-planar coordination geometry. Compound 4 presents two polymorphs (4a-b) both showing a Fe(III). The magnetic susceptibility of 3 and 5 show a behavior dominated by antiferromagnetic interactions, with room temperature magnetic moments of 3.40 μB and 3.36 μB, respectively, indicating that these square-planar Co(III) complexes assume an intermediate spin electronic configuration (S=1) as supported by multiconfigurational DFT calculations.
Note: Versió postprint del document publicat a: https://doi.org/10.1021/acs.inorgchem.0c01154
It is part of: Inorganic Chemistry, 2020, vol. 59, num. 13, p. 9261-9269
URI: http://hdl.handle.net/2445/185004
Related resource: https://doi.org/10.1021/acs.inorgchem.0c01154
ISSN: 0020-1669
Appears in Collections:Articles publicats en revistes (Química Inorgànica i Orgànica)
Articles publicats en revistes (Institut de Química Teòrica i Computacional (IQTCUB))

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