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    Por favor, use este identificador para citar o enlazar este ítem:http://uvadoc.uva.es/handle/10324/33449

    Título
    Tetrathiomolybdate Complexes of Rhodium(I) with Molybdenum–Rhodium Interactions
    Autor
    Xamonaki, Nikoletta
    Asimakopoulos, Anastasios
    Balafas, Anastasios
    Dasenaki, Marilena
    Choinopoulos, Ioannis
    Coco Cea, SilverioAutoridad UVA Orcid
    Simandiras, Emmanuel
    Koinis, Spyros
    Año del Documento
    2016
    Editorial
    American Chemical Society
    Descripción
    Producción Científica
    Documento Fuente
    Inorganic Chemistry, 2016, 55 (10), pp 4771–4781
    Abstract
    The synthesis and characterization of the tetrathiomolybdatorhodium(I) monoanionic complexes [L2Rh(μ-S)2MoS2]− (L = CO (3), P(OPh)3 (4), P(O-o-Tol)3 (P(o-CH3C6H4)3; 5), P(OMe)3 (6), P(OEt)3 (7), P(O-i-Pr)3 (8); L2 = COD (1,5-cyclooctadiene; 2), cis-dppen (cis-Ph2PCH═CHPPh2; 9), dppe (Ph2PCH2CH2PPh2; 10), dppb (Ph2P(CH2)4PPh2; 11)) is presented. The complex 2 (NEt4+ salt) was characterized by X-ray diffraction analysis. A detailed DFT study of the electronic structures of 2–4 and 6–8 has revealed the existence of extended electron delocalization over the four-membered Rh(μ-S)2Mo ring and hence the possibility of electronic communication between the metal centers. The electronic spectra were studied with TDDFT calculations, and the main absorption band in the visible region was assigned to ν(Rh→Mo) electron transfer transition, which is actually a HOMO–LUMO transition. The ν(Rh→Mo) transition was found to correlate linearly both with Tolman’s electronic parameter of the phosphite ligands and the calculated HOMO–LUMO gap of the complexes, rendering it a well-defined ligand electronic parameter, which describes the net donating ability of monodentate and bidentate ligands (CO, COD, phosphites, diphosphines). The study of the variation of Δδ(31P) and 1J(Rh–P) of the phosphite complexes with respect to the QALE model electronic parameters χd, πp, and Ear has succeeded in the assessment of the σ and π effects on these NMR spectral parameters.
    Palabras Clave
    Interacciones Molibdeno-Rodio
    Molybdenum–Rhodium Interactions
    ISSN
    0020-1669
    Revisión por pares
    SI
    DOI
    10.1021/acs.inorgchem.6b00072
    Version del Editor
    https://pubs.acs.org/doi/10.1021/acs.inorgchem.6b00072
    Idioma
    eng
    URI
    http://uvadoc.uva.es/handle/10324/33449
    Derechos
    openAccess
    Collections
    • DEP63 - Artículos de revista [322]
    • CINQUIMA - Artículos de revista [162]
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    Universidad de Valladolid

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