Browsing by Author "201-0372560"
Now showing items 21-40 of 75
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Ponce, Ingrid; Silva, J. Francisco; Oñate, Ruben; Rezende, Marcos Caroli; Páez, Maritza; Zagal Moya, José H.; Pavez, Jorge; Mendizábal Emaldía, Fernando; Miranda Rojas, Sebastián; Muñoz Castro, Alvaro; Arratia Pérez, Ramiro (2012)We have prepared self-assembled monolayers (SAMs) of 4-aminothiophenol (4-ATP) and 1-(4-mercaptophenyl)-2,6-diphenyl-4-(4-pyridyl)pyridinium tetrafluoroborate (MDPP) functionalized with iron phthalocyanine (FePc) and copper ...
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Olea Azar, Claudio; Rigol Olsen, Carolina; Mendizábal Emaldía, Fernando; Morello Casté, Antonio; Maya Arango, Juan; Moncada, C.; Cabrera, E.; Di Maio, R.; González, M.; Cerecetto, Hugo (TAYLOR & FRANCIS LTD, 2003-08)Electron spin resonance (ESR) spectra of radicals obtained from two analogues of the antiprotozoal drug nifurtimox by electrolytic and Trypanosoma cruzi reduction were analyzed. The electrochemistry of these compounds was ...
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Aguilera, Benjamín; Olea Azar, Claudio; Norambuena, Ester; Arán, Vicente J.; Mendizábal Emaldía, Fernando; Lapier, Michel; Maya Arango, Juan; Kemmerling Weis, Ulrike; López Muñoz, Rodrigo (PERGAMON-ELSEVIER SCIENCE LTD, 2011-03)Electrochemical and ESR studies were carried out in this work with the aim of characterizing the reduction mechanisms of 4-substituted and 1,4-disubstituted 7-nitroquinoxalin-2-ones by means of cyclic voltammetry in DMSO ...
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Diaz, Carlos; Mendizábal Emaldía, Fernando (Sociedad Chilena de Quimica, 2001)In the series of organometallic complexes N3P2(X)5P-SPACER-MLn X= CI and OR, MLn= organometallic fragment, the A31 P-NMR coordination chemical shift parameter correlates with the length of the spacer, decaying exponentially ...
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Paredes Gil, Katherine; Páez Hernández, Dayán; Arratia Pérez, Ramiro; Mendizábal Emaldía, Fernando (Wiley, 2020)Time-dependent density functional theory (TD-DFT)/periodic DFT calculations were performed to determine the role of pro-aromatic organic D-A-pi-A type dyes (the NL1-NL17 family) with Thieno[3,4-b]pyrazine (Tpy) as A acceptor ...
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Mendizábal Emaldía, Fernando; Lopéz, Alfredo; Arratia Pérez, Ramiro; Inostroza, Natalia; Linares Flores, Cristian (Springer Verlag, 2015)© 2015, Springer-Verlag Berlin Heidelberg. The interaction of the dye YD2 with a cluster of (anatase-phase) TiO<inf>2</inf> (which is utilized in dye-sensitized solar cells, DSSCs) and electron injection by the ...
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Urzúa Acevedo, Marcela; Mendizábal Emaldía, Fernando; Cabrera, Walton J.; Ríos, Hernán E. (ACADEMIC PRESS INC ELSEVIER SCIENCE, 2005-06-01)The interfacial properties ofpoly(maleic acid-alt-1-alkene) disodium salts at hydrocarbon/water interfaces are determined. In all the studied systems, the interfacial tension decreases markedly with the polyelectrolyte ...
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Mendizábal Emaldía, Fernando; Contreras Ramos, Renato; Aizman, Arie (1992)External field effects are introduced in both charge and orbital control terms of Klopman–Salem formalism for the study of chemical reactivity in condensed phase. An analytical expression is derived for the change of the ...
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Mendizábal Emaldía, Fernando; Olea Azar, Claudio (JOHN WILEY & SONS INC, 2002-03-15)The electronic structures of complexes and one-dimensional metallomacrocycles with cyanide as bridged ligand, such as [MacM(CN)(2)](-) and [MacM(CN)](n) [Mac = phthalocyanine, tetrabenzoporphyrine; M = Co(III), Rh(III)] ...
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Canales, Silvia; Crespo, Olga; Gimeno, M. Concepción; Jones, Peter G.; Laguna, Antonio; Mendizábal Emaldía, Fernando (American Chemical Society, 2001)The gold(I) compounds [Se(AuPPh3)2] and [Se{Au2(μ-dppf)}] (dppf = 1,1′-bis(diphenylphosphino)ferrocene) react with 1 and 2 equiv of [Au(C6F5)3OEt2] to give the mixed gold(I)-gold(III) derivatives [Se(AuPPh3)2{Au(C6 F5)3}n] ...
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Contreras Ramos, Renato; Mendizábal Emaldía, Fernando; Aizman, Arie (Kluwer Academic Publishers, 1992)The interaction between NaCl and 1,2-dimethoxyethylene is used to model ion binding to a neutral polymer. The relative binding energies involving different ion-polymer structures were calculated using minimal basis STO-3G ...
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Olea Azar, Claudio; Rigol Olsen, Carolina; Mendizábal Emaldía, Fernando; Cerecetto, Hugo; Di Maio, R.; González, Mercedes; Porcal, Williams; Morello Casté, Antonio; Repetto Scaramelli, Yolanda; Maya Arango, Juan (BENTHAM SCIENCE PUBL LTD., 2005-06)In order to gain inside the mechanism of action of a series of benzo[1,2-c]1,2,5-oxadiazole N-oxide derivatives with in vitro anti-trypanosomal activity, electrochemical and biological studies were performed. Cyclic ...
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Mendizábal Emaldía, Fernando; Olea Azar, Claudio; Briones, Rodolfo (JOHN WILEY & SONS INC, 2001-04-15)Electronic structure aspects related to the semiconducting properties of monomers and polymers of phythalocyanoiron with bidentate bridging ligands, PcFe-L-2 and -[PcFe(L)](n), have been investigated from density functional ...
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Mendizábal Emaldía, Fernando; Miranda Rojas, Sebastián; Castro Latorre, Pablo (Taylor & Francis, 2020)The understanding of closed-shell interactions has become of tremendous relevance in the ever-growing field of supramolecular chemistry. Here, we present a theoretical study in which we characterised the intermolecular ...
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Jullian Matthaei, Carolina; Miranda, Sebastián; Zapata Torres, Gerald Amilcar; Mendizábal Emaldía, Fernando; Olea Azar, Claudio (PERGAMON-ELSEVIER SCIENCE LTD, 2007-05)The aim of this paper is to describe the inclusion properties and the factors affecting the complexation selectivity and stabilization of catechin (CA) into beta-cyclodextrin (beta-CD) and two of its derivatives, namely ...
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Muñoz Castro, Alvaro; Gómez, Tatiana; MacLeod Carey, Desmond; Miranda Rojas, Sebastián; Mendizábal Emaldía, Fernando; Zagal Moya, José H.; Arratia Pérez, Ramiro (American Chemical Society, 2016)© 2016 American Chemical Society.Gold-graphene interaction at the interface is evaluated through different polyaromatic hydrocarbons (PAH), accounted by C6H6, C24H12, C54H16, and C96H18, focusing into different energetic ...
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Santander Nelli, Mireya; Silva, Carlos P.; Espinoza Vergara, Javier; Silva, Juan F.; Olguín, Camila F.; Cortés Arriagada, Diego; Zagal Moya, José H.; Mendizábal Emaldía, Fernando; Díez Pérez, Ismael; Pavez, Jorge (Elsevier, 2017)We have prepared a nanoelectrode ensemble containing vertically aligned single walled carbon nanotubes (SWCNTs) using a non-template molecular self-assembling strategy. We used a bottom-up construction approach to assemble ...
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Santander Nelli, Mireya; Silva, Carlos P.; Espinoza Vergara, Javier; Silva, Juan F.; Olguín, Camila F.; Cortés Arriagada, Diego; Zagal Moya, José H.; Mendizábal Emaldía, Fernando; Díez Pérez, Ismael; Pavez, Jorge (Elsevier Ltd, 2017)© 2017 Elsevier Ltd We have prepared a nanoelectrode ensemble containing vertically aligned single walled carbon nanotubes (SWCNTs) using a non-template molecular self-assembling strategy. We used a bottom-up construction ...
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Rodríguez Becerra, Jorge; Olea Azar, Claudio; Zapata Torres, Gerald Amilcar; Mendizábal Emaldía, Fernando; Gonzáles, Mercedez; Cerecetto, Hugo (SOC BRASILEIRA QUIMICA, 2010-07-01)Um estudo de DFT em derivados 5-NI foi realizado em diferentes níveis de teoria, a fim procurar a melhor metodologia para calcular constantes de acoplamento hiperfinas (hfccs), distribuições da densidade da rotação e ...
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Castro Latorre, Pablo Andrés; Miranda Rojas, Sebastián; Mendizábal Emaldía, Fernando (Royal Society of Chemistry, 2020)Here we aim to explore the nature of the forces governing the adsorption of gold-phthalocyanine on gold substrates. For this, we designed computational models of metal-free phthalocyanine and gold-phthalocyanine deposited ...