Browsing by Author "Morales Verdejo, Cesar"

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    Synthesis and structure of some heterobimetallic complexes having a polyalkyl-s-indacenyl spacer
    (ELSEVIER SCIENCE SA, 2013) Morales Verdejo, Cesar; Martinez, Ivan; Mac Leod Carey, Desmond; Chavez, Ivonne; Manuel Manriquez, Juan; Matioszek, Dimitri; Saffon, Nathalie; Castel, Annie; Riviere, Pierre; Molins, Elies
    Three heterobimetallic complexes LmM(s-Ic')M'Ln (M = Fe, Ru or Mn; M' = Ni) having the same Cp* nickel moiety and based on a polyalkyl-s-indacenyl spacer (s-Ic' = 2,6-diethyl-4,8-dimethyl-s-indacenyl) were synthesized by reacting Cp* Ni(acac) with the lithium derivative of the parent monometalated complex. All three compounds were fully characterized and shown to adopt a trans geometry by X-ray crystallography. (C) 2012 Elsevier B. V. All rights reserved.
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    Toward the Synthetic Control of the HOMO-LUMO Gap in Binuclear Systems: Insights from Density Functional Calculations
    (AMER CHEMICAL SOC, 2010) Munoz Castro, Alvaro; Mac Leod Carey, Desmond; Morales Verdejo, Cesar; Chavez, Ivonne; Manuel Mariquez, Juan; Arratia Perez, Ramiro
    Computational methods based on density functional theory have been applied to address the design of tailored HOMO-LUMO gap bimetallic complexes. We focus our attention on the [Cp*Fe-(L)-FeCp*] system, where two ferrocenyl units are linked through the dianion of fused ring ligands such as pentalene, s-indacene, dicyclopenta-[b,g]-naphthalene, dicyclopenta-[b,l]-anthracene and dicyclopenta-[b,l]-tetracene Our DFT calculations on the title organometallic complexes suggest a controlled decrease in the HOMO-LUMO gap, which is desirable for studies on electron-transfer phenomena, as well as the design potential devices for molecular electronic purposes.