Browsing by Author "Arratia-Perez, Ramiro"

Now showing 1 - 9 of 9
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    A new method to radical anions derived from s-Indacene organobimetallic complexes, their ESR characterization
    (2012) MacLeod Carey, D.; Adams Wrighton, Christopher William; Muñoz-Castro, A.; Morales Verdejo, César Aarón; Araneda Arango, Juan Felipe; Chávez Madariaga, Ivonne; Manríquez M., Juan Manuel; Castel, A.; Riviere, P.; Riviere-Baudet, M.; Matioszek, D.; Septelean, R.; Martinez, I.; Arratia-Perez, Ramiro
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    Comparative study of the anchorage and the catalytic properties of nanoporous tio2 films modified with ruthenium (II) and rhenium (I) carbonyl complexes
    (2018) Oyarzun, Diego P.; Chardon-Noblat, Sylvie; Linarez Perez, Omar E.; Lopez Teijelo, Manuel; Zuniga, Cesar; Zarate, Ximena; Shott, Eduardo; Carreno, Alexander; Arratia-Perez, Ramiro
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    Experimental and Theoretical Studies of the ancillary ligand (E)-2-((3-amino- pyridin-4-ylimino)-methyl)-4,6-di-tert-butylphenol in Rhenium(I) core
    (2015) Carreno, Alexander; Gacitua, Manuel; Schott Verdugo, Eduardo Enrique; Zarate, Ximena; Manriquez, Juan Manuel; Preite, Marcelo Daniel; Ladeira, Sonia; Castel, Annie; Pizarro, Nancy; Vega, Andres; Chavez, Ivonne; Arratia-Perez, Ramiro
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    In-Situ Preparation of CdTe Quantum Dots Capped with beta-Cyclodextrin-Epichlorohydrin Polymer : Polymer Influence on the Nanocrystal's Optical Properties
    (2018) Martin-Trasanco, Rudy; Esparza-Ponce, Hilda E.; Ortiz Rodríguez, Pedro David; Oyarzun, Diego P.; Zuniga, Cesar; Montero-Cabrera, Maria E.; Tundidor Camba, Alain; Pizarro, Guadalupe del C.; Arratia-Perez, Ramiro
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    New mono and bimetallic iron complexes derived from partially methylated s-indacene. Evidence of a trinuclear iron s-indacene complex
    (2014) Morales-Verdejo, Cesar; Martinez-Diaz, Ivan; Adams, Christopher; Araneda, Juan Felipe; Oehninger, Luciano; Carey, Desmond Mac-Leod; Munoz-Castro, Alvaro; Arratia-Perez, Ramiro; Chavez, Ivonne; Manuel Manriquez, Juan
    The preparation and characterization of new mono- and multinuclear iron complexes derived from s-indacene partially alkylated has been achieved by the development of rational synthetic routes. The synthesis of the new multimetallic complexes are based on the employment of 1,5-dihydro-2,4,6, 8-tetramethyl-s-indacene (Ic'H-2) as ligand to obtain two monometallic complexes, namely, [Cp*-Fe-(eta(5)-2,4,6,8-tetramethyl-5-hydro-s-indacenide)] (1), and [Fe-bis(eta(5)-2,4,6,8-tetramethyl-5-hydro-s-indacenide)] (2) (Cp* = pentamethylcyclopentadiene), as well as, the new bimetallic [Cp*Fe-(mu:eta(5):eta(5)-2,4,6,8-tetramethyl-s-indaceneiide)-FeCp*] (3) and trimetallic [Fe-bis{Cp*Fe-(mu:eta(5):eta(5)-2,4,6,8-tetramethyl-s-indaceneiide)}] (4) complexes. All complexes here reported were characterized by means of H-1, C-13 NMR, mass spectrometry, elemental analysis, together with cyclic voltammetry. In addition, these complexes have been studied by DFT methods in order to gain further knowledge about its electronic structure. In addition, the possibility to generate organometallic polymers employing the complexes here reported, is proposed theoretically with the study of an oligomer titled as [Cp*(Fe(Ic')}(4)FeCp*], 6(t). (C) 2013 Elsevier Ltd. All rights reserved.
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    New Properties of a Bioinspired Pyridine Benzimidazole Compound as a Novel Differential Staining Agent for Endoplasmic Reticulum and Golgi Apparatus in Fluorescence Live Cell Imaging
    (2018) Llancalahuen, Felipe M.; Fuentes, Juan A.; Carreño, Alexander; Zúñiga, César; Páez-Hernández, Dayán; Gacitúa Santelices, Manuel Alejandro; Polanco, Rubén; Preite, Marcelo Daniel; Arratia-Perez, Ramiro; Otero, Carolina
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    Optical and electronic properties of benzopyrylium derivatives. Theoretical-experimental synergy towards novel DSSCs devices
    (2019) Tirapegui, Cristian; Rojas-Poblete, Macarena; Arratia-Perez, Ramiro; Linares-Flores, Cristian; Islas, Rafael; Schott Verdugo, Eduardo Enrique; Guajardo-Maturana, Raul
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    Structural, electronic and magnetic properties of copper(I) cubic clusters
    (2021) Barboza, Cristina A.; Gambetta, Adrian; Arratia-Perez, Ramiro; Rodriguez-Kessler, Peter L.; Munoz-Castro, Alvaro; MacLeod-Carey, Desmond
    We report the molecular and electronic structure, and the calculated electronic excitation energies, using the time dependent density functional methodologies (TD-DFT), and the induced magnetic field (B-i) of a series of Cu(I) dithiolato and diselenolato species of formula [Cu-8(L)(6)]. They are composed by eight copper atoms forming a Cu-8 cube and six bidentate ligands (L), where twelve chalcogen atoms (Q) bridging the edges of the copper cube, in such a way that chalcogen atoms describe an icosahedron, enclosing a cubic [Cu8(mu-Q(12))](4) core of T-h symmetry. The Q...Q bite distance is similar in all clusters, without being influenced by the Cu-Cu distance, suggesting the existence of metallophilic interactions that stabilize the cluster structure. Despite of the structural similarities, the electronic structure of these clusters present some differences which are magnified on their optical properties. Excitation energies and their composition depend on the nature of each different ligand in these clusters, according to CT(lambda(M) )index to determine the ligand to metal (LM) or metal to ligand charge transfer (MLCT) character of each calculated electronic transition. The magnetic properties calculations show the importance to separate the magnetic response into their individual components (B-i with i = x, y, z, iso), and diamagnetic and paramagnetic contributions to understand the differences according to the type of ligand on the cluster structure. (C) 2020 Elsevier Ltd. All rights reserved.
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    Theoretical insights into the adsorption of neutral, radical and anionic thiophenols on gold(111)
    (2013) Miranda-Rojas, S.; Munoz-Castro, Alvaro; Arratia-Perez, Ramiro; Mendizabal, Fernando
    The interaction of thiol and thiolate containing molecules with gold (S-Au) has gained increasing interest because of its applications in molecular electronic devices and catalysis. In this context, the enhanced conductivity of thiophenol compared to alkanethiol represents an opportunity to develop more sensitive and selective gold-based devices by incorporating molecules with the aryl-thiol moiety into their structures. As has been proposed earlier, the thiol moiety is deprotonated after binding to gold, hence, we present here a comparative study of the S-Au bond strength between several neutral and deprotonated aromatic-sulfur systems in their anionic and radical forms with a detailed description of the nature of this interaction. The study was performed by means of computational chemistry methods, using a cluster of 42 Au atoms as a model of the Au(111) surface that allowed us to provide new chemical insights to control the S-Au interface interaction strength. Our results revealed that the thiophenols-gold interaction is mainly dispersive where the interaction energies range between 31 and 43 kcal mol(-1). The radical and anionic thiophenolates-gold interaction increases due to a strong charge transfer character, depicting interaction energies in the range of 50 to 55 kcal mol(-1) and 62 to 92 kcal mol(-1), respectively. These results suggest that for the anionic thiophenolate the binding strength can be tailored according to the electron-donor capabilities of the ligand which in turn can be finely tuned by several substituents. Our results are of possible impact for the design of new devices.