Browsing by Author "Molins, Elies"

Now showing 1 - 17 of 17
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    A family of substituted hydrazonoisoxazolones with potential biological properties
    (2016) Bustos, Carlos; Molins, Elies; Cárcamo, Juan Guillermo; Aguilar, Marcelo N.; Sánchez, Christian; Moreno Villoslada, Ignacio; Nishide, Hiroyuki; Zárate, Ximena; Schott Verdugo, Eduardo Enrique
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    A new series of zirconium metallocenes derived from partially alkylated s-indacene with potential applications in the polymerization of ethylene
    (2015) Felipe Araneda, Juan; Morales-Verdejo, Cesar; Adams, Christopher; Martinez-Diaz, Ivan; Chavez, Ivonne; Teresa Garland, Maria; Rojas, Rene S.; Molins, Elies; Manuel Manriquez, Juan
    This contribution describes the synthesis and characterization of a series of zirconium metallocenes derived from partially alkylated s-indacene. The complexes [Cp*ZrCl2-s-Ic '' H] 1, [Cp/ZrCl2-s-Ic '' H] 3 and [CpZrCl2-s-Ic '' H] 4 (s-Ic'H = 2,6-diethyl-4,8-dimethyl-1-hydro-s-indacene; s-Ic '' H = 2,6-dibutyl-4,8-dimethyl-1-hydro-s-indacene) were synthesized from the monolithiated salts of s-indacene (s-Ic'H or s-Ic '' H) with one equivalent of C5R5ZrCl3 (R = H, CH3). All complexes here reported were characterized by means of H-1 and C-13 NMR, mass spectrometry, elemental analysis. Complexes [Cp*ZrCl2-s-Ic'H] 1 and [CpZrCl2-s-Ic'H] 2 (previously reported by NMR analysis) were characterized by X-ray diffraction. In order to gain further knowledge about their catalytic behavior, the complexes were tested in the catalysis of ethylene polymerization showing a highest activity. Complex 4 presents the highest ethylene polymerization activity than complexes 1 and 2, and 3 under the same working conditions. (C) 2015 Elsevier B.V. All rights reserved.
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    A new zero-dimensional (0D) hybrid bismuth (III) halide: Synthesis, crystal structure, thermal analysis, photophysical properties and DFT calculations
    (2024) Msaoura, Selma; Benito, Monica; Molins, Elies; Khirouni, Kamel; Zarate, Ximena; Saavedra-Torres, Mario; Schott, Eduardo; Houas, Ammar; Rayes, Ali
    Low-dimensional organic-inorganic hybrid Bi(III) halides, with organic N, O-heterocycles, are promising solid -state photoluminescent materials, but are underexplored. In this work, we present the synthesis and charac-terization of a novel bismuth (III) hybrid salt, namely (C8H12NO)(4)[Bi2Cl10] (referred as (1)). (1) was synthesized using a solvent-evaporation method and extensively characterized using various techniques. The crystal structure of (1) was determined to be zero-dimensional (0D). In this structure, the individual bioctahedral [Bi2Cl10](4-) dimers, which share edges, are completely isolated from each other. These dimers are separated by large 4-methoxybenzylammonium cations (C8H12NO)(+). The latter are crucial for the crystal structural stability by balancing [Bi2Cl10](4-) dimer charges and maintaining overall integrity. Solid-state diffuse reflectance UV-Vis spectrum demonstrates that (1) is a semiconductor with a band gap of 3.32 eV. Its photoluminescence spectrum exhibits intense blue emission when exposed to UV light, with CIE chromaticity coordinates of (0.22, 0.21). Theoretical calculations suggest that the emission with multiple centers originates both from a charge transition between (C8H12NO)(+) and Bi2Cl104- ions and from excited-state proton transfer (ESPT) processes related to fluo-rescence properties. These ESPT processes occur through C-H center dot center dot center dot pi and C-H center dot center dot center dot O intermolecular hydrogen bonding between the organic cations.
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    Air- and Water-Stable Heteroleptic Copper (I) Complexes Bearing Bis(indazol-1-yl)methane Ligands: Synthesis, Characterisation, and Computational Studies
    (2023) Moreno Da Costa, David Ricardo Rafael; Zúñiga-Loyola, César; Droghetti, Federico; Robles, Stephania; Alondra Villegas-Menares; Villegas, Nery Andres; Gonzalez-Pavez, Iván; Molins, Elies; Natali, Mirco; Cabrera, Alan R.; Boucekkine, Abdou
    A series of four novel heteroleptic Cu(I) complexes, bearing bis(1H-indazol-1-yl)methaneanalogues as N,N ligands and DPEPhos as the P,P ligand, were synthesised in high yields undermild conditions and characterised by spectroscopic and spectrometric techniques. In addition, theposition of the carboxymethyl substituent in the complexes and its effect on the electrochemical andphotophysical behaviour was evaluated. As expected, the homoleptic copper (I) complexes with theN,N ligands showed air instability. In contrast, the obtained heteroleptic complexes were air- andwater-stable in solid and solution. All complexes displayed green-yellow luminescence in CH2Cl2at room temperature due to ligand-centred (LC) phosphorescence in the case of the Cu(I) complexwith an unsubstituted N,N ligand and metal-to-ligand charge transfer (MLCT) phosphorescence forthe carboxymethyl-substituted complexes. Interestingly, proper substitution of the bis(1H-indazol1-yl)methane ligand enabled the achievement of a remarkable luminescent yield (2.5%) in solution,showcasing the great potential of this novel class of copper(I) complexes for potential applications inluminescent devices and/or photocatalysis.
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    An Improved Synthesis of 3,6-Dihydro-as-indacene
    (2021) RDibdalli, Yuvaraja; Faundez, Rodrigo; Preite, Marcelo; Molins, Elies; Chavez, Ivonne; Amshumali, Mungalimane K.; Morales-Verdejo, Cesar; Manriquez, Juan M.
    This contribution describes an updated synthetic route to 3,6-dihydro-as-indacene along with full characterization of all intermediates. The title compound is prepared by Mannich condensation of 2-methylfuran with formaldehyde and dimethylamine hydrochloride, quaternization of the resulting amine with methyl iodide, and conversion into the ammonium hydroxide salt by treatment with silver oxide in water. Subsequent Hoffmann elimination and [6,6]-cycloaddition through pyrolysis produces a furanocyclophane, which after photooxidation, intramolecular cycloaddition, and dehydration with sodium carbonate affords 2,3,6,7-tetrahydro-1,8-dione-as-indacene. Reduction of this diketone gives a mixture of alcohols, which after dehydration under slightly basic or acidic conditions produces 3,6-dihydro-as-indacene. The structure is confirmed by X-ray diffraction, and all intermediates are characterized by means of H-1 and C-13 NMR spectroscopy.
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    Heterobinuclear s-Indacene Rhodium Complexes: Synthesis and Characterization
    (2009) Adams Wrighton, Christopher William; Morales Verdejo, César Aarón; Morales Cárdenas, Verónica; MacLeod-Carey, Desmond; Manríquez M., Juan Manuel; Chávez Madariaga, Ivonne; Munoz-Castro, Alvaro; Delpech, Fabien; Castel, Annie; Gornitzka, Heinz; Riviere-Baudet, Monique; Riviere, Pierre; Molins, Elies
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    Heterobinuclear s-Indacene Rhodium Complexes: Synthesis and Characterization (pg 784, 2009)
    (2009) Adams Wrighton, Christopher William; Morales Verdejo, César Aarón; Morales Cárdenas, Verónica; MacLeod-Carey, Desmond; Manríquez M., Juan Manuel; Chávez Madariaga, Ivonne; Munoz-Castro, Alvaro; Delpech, Fabien; Castel, Annie; Gornitzka, Heinz; Riviere-Baudet, Monique; Riviere, Pierre; Molins, Elies
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    Methylxanthines for halogen bonded cocrystals with 1,4-diiodotetrafluorobenzene: green synthesis, structure, photophysics and DFT studies
    (2024) Benito, Monica; Nunez, Rosario; Sinha, Sohini; Roscini, Claudio; Hidalgo-Rosa, Yoan; Schott, Eduardo; Zarate, Ximena; Molins, Elies
    Four new halogen-bonded cocrystals of biological methylxanthines, named caffeine, theophylline and theobromine, have been prepared with 1,4-diiodotetrafluorobenzene as a halogen bond donor by mechanochemical and solution processes. For theophylline, N & ctdot;I and N & ctdot;O interactions were observed, while for caffeine and theobromine, only N & ctdot;I was detected. The solids were characterized by PXRD, SC-XRD, FTIR and thermal methods (TGA-DSC analyses). In addition, the solid-state photoluminescence properties of the methylxanthines and their respective cocrystals have been studied and quantum chemistry calculations have been performed to rationalise and understand the electronic and optical properties of all compounds. This work provides a triad of natural methylxanthines capable of forming halogen-bonded multicomponent systems that can give rise to a cocrystal-to-crystal transformation with off-on luminescence activation.
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    New 3, 4, 5-Trisubstituted Isoxazole Derivatives with Potential Biological Properties
    (2015) Bustos, Carlos; Molins, Elies; Cárcamo, Juan Guillermo; Aguilar, Marcelo N.; Sánchez, Christian; Moreno Villoslada, Ignacio; Nishide, Hiroyuki; Mesías Salazar, Ángela Diana; Zárate, Ximena; Schott Verdugo, Eduardo Enrique
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    Novel and Convenient Synthesis of 2,7-Dialkyl-1,8-dihydro- as -indacenes
    (2019) Faúndez Gutiérrez, Rodrigo Esteban; Castillo, Francisco; Preite, Marcelo Daniel; Schott Verdugo, Eduardo Enrique; Zarate, Ximena; Manríquez M., Juan Manuel; Molins, Elies; Morales-Verdejo, César; Chavez, Ivonne
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    Selective oxidants for organometallic compounds containing a stabilising anion of highly reactive cations: (3,5(CF3)(2)C6H3)(4)B-)Cp2Fe+ and (3,5(CF3)(2)C6H3)(4)B-)Cp-2*Fe+
    (2000) Chávez Madariaga, Ivonne; Álvarez Carena, Ángel; Molins, Elies; Roig, Anna; Maniukiewicz, Waldemar; Arancibia, Alejandra; Arancibia Moya, Verónica; Brand, Holger; Manríquez M., Juan Manuel
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    Synthesis and characterization of [Cp*Fe-dicyclopenta(a,f)naphthalene-FeCp*] and [Cp*Fe-dicyclopenta(a,f)naphthalene-FeCp*] BF4-
    (2001) Alfonso Hernández, Geraldo; Chávez, Ivonne; Arancibia Moya, Verónica; Manríquez M., Juan Manuel; Garland, María Teresa; Roig, Anna; Molins, Elies; Baggio, Ricardo Fortunato
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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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    Synthesis of Au Nanoparticles Assisted by Linker-Modified TiO2 Nanoparticles
    (2018) Ortiz Rodríguez, Pedro David; Castillo Rodríguez, Judith; Zárate, Ximena; Martin Trasanco, R.; Benito, Mónica; Mata, Ignasi; Molins, Elies; Schott Verdugo, Eduardo Enrique
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    Synthesis, characterization and structure of diiron organometallic derivatives of 2,9-dimethyl-1,10-dihydro-dicyclopenta[a,h]naphthalene
    (2005) Amshumali, M. K.; Chávez, Ivonne; Arancibia Moya, Verónica; Burgos Olavarría, Francisco Andrés; Manríquez M., Juan Manuel; Molins, Elies; Roig, Anna
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    Synthesis, characterization, spectroscopic properties and DFT study of a new pyridazinone family.
    (2017) Arrue, Lily; Rey, Marina; Rubilar Hernández, Carlos; Correa Alfaro, Sebastián; Molins, Elies; Norambuena, Lorena; Zárate, Ximena; Schott Verdugo, Eduardo Enrique
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    Tuning the molecular/electronic structure of new substituted pyrazoles: Synthesis, biological trials, theoretical approaches and Hammett correlations
    (2018) Bustos, Carlos; Alvarez-Thon, Luis; Molins, Elies; Moreno-Villoslada, Ignacio; Vallejos-Contreras, Gabriel; Sánchez Villalón, Christián Orlando; Zarate, Ximena; Mac-Leod Carey, Desmond; Schott Verdugo, Eduardo Enrique