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Listar QF - Contribuciones a congresos científicos por autor "Ruíz-Delgado, María del Carmen"
Mostrando ítems 1-20 de 34
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A theoretical investigation of the diradical character and cyclophane formation in π-conjugated diradicals.
π-Conjugated diradical compounds which feature unpaired electrons in the ground state are essential for understanding the nature of chemical bonds and have potential applications in material science1. In fact, an important ... -
Analyzing thin film morphology by Resonance Raman spectroscopy
Ponce-Ortiz, Rocío; Harbuzaru, Alexandra; Gámez Valenzuela, Sergio; Ruiz-Delgado, María del Carmen; Wang, Yingfeng; Guo, Xugang[et al.] (2019-07-16)Polymeric organic thin film transistors (OFETs) and all-polymer bulk heterojunction solar cells (all-PCS), which are composed of a polymer donor and a polymer acceptor, have attracted considerable attention in the last ... -
Cálculos DFT en materiales orgánicos conjugados: importancia en el análisis de los datos experimentales
González-Cano, Rafael C.; López-Navarrete, Juan Teodomiro; Ruiz-Delgado, María del Carmen (2017-12-22)Actualmente, y cada vez con mayor intensidad, los materiales orgánicos policonjugados se están erigiendo como la alternativa ecológica real al uso de silicio en materiales para dispositivos electrónicos. Este hecho se debe ... -
Caracterización de sistemas basados en carbazol con transformación reversible entre birradical aislado y σ-agregados
Badía-Domínguez, María Irene; Gámez-Valenzuela, Sergio; Capel-Ferrón, Cristina; Ponce-Ortiz, Rocío; López-Navarrete, Juan Teodomiro; Hernández-Jolín, Víctor; Hartl, Frantisek; Li, Hongxiang; Ruiz-Delgado, María del Carmen[et al.] (2017-07-03)El desarrollo de la química de moléculas orgánicas π-conjugadas que tienen una capa de valencia que no está completamente llena, también conocidas como sistemas de capa abierta, ha atraído mucho interés en estos últimos ... -
Carbazole and indolcarbazole-based systems: impact of the structural changes on the system properties
Badía-Domínguez, María Irene; Hartl, Frantisek; Li, Hongxiang; Seki, Shu; Sakamaki, Daisuke; Negri, Fabrizia; López Navarrete, Juan T.; Hernández-Jolín, Víctor; Ruiz-Delgado, María del Carmen[et al.] (2022)π-Conjugated diradical compounds, featuring unique unsaturated valences and radical centres in the ground state, are fundamentally important for understanding the nature of chemical bonds and have potential applications ... -
Carbazole-based biradicaloids as potential building blocks for dynamic covalent chemistry
Ruiz-Delgado, María del Carmen (2018-12-18)Pi-conjugated biradical compounds become essential building blocks in DCC (dynamic covalent chemistry).1 This field is based on the creation of structural scaffolds based on chemical components which interact through strong ... -
Computational study of coronoid carbazole based Macrocycles: influence of isomerism.
Muñoz Alba, Fernando; Badía-Domínguez, María Irene; Sancho-García, Juan C.; Ruiz-Delgado, María del Carmen (2023)Carbazole (Cz) units have been recognized as crucial conjugated cores in organic electronics due to their good electro- and photoactive properties, such as high hole-transporting mobilities, when compared to other heterocycles. ... -
Cyclic Triindoles and Tetraindoles: Substituent and Symmetry Effects on their Structural and Electronic Characteristics
Ruiz-Delgado, María del Carmen; Ruiz, Constanza; López-Navarrete, Juan Teodomiro; Gómez-Lor, Berta (2016-10-07)During the last decade heptacyclic 10,15-dihydro-5H-diindolo[3,2-a:3',2'-c]carbazole (triindole) has been extensively studied as a new π-conjugated platform in the construction of self-assembling materials for optoelectronics. ... -
Cyclophane self-assembly from carbazole-based diradicals
Badía-Domínguez, María Irene; Hartl, Frantisek; Hongxiang, Li; Seki, Shu; López-Navarrete, Juan Teodomiro; Hernández-Jolín, Víctor; Ruiz-Delgado, María del Carmen[et al.] (2022-06-30)The investigation of π-conjugated diradical compounds, featuring radical centers in the ground state, is key to understanding the nature of chemical bonds.[1] Occasionally, these systems can form long σ C-C bonds between ... -
Dicyanomethylene-substituted indolocarbazole diradicals: Investigating their challenging chemical reactivity and physical properties.
Badía-Domínguez, Irene; Wang, Deliang; Nash, Rosie; Hernández-Jolín, Víctor; Li, Hongxiang; Hartl, František; Ruiz-Delgado, María del Carmen[et al.] (2024)π-Conjugated diradical compounds, with unpaired electrons in the ground state, are fundamentally important for understanding the nature of chemical bonds and have potential applications in material science[1]. It has been ... -
Estudio de estados excitados y deslocaclización de carga en oligotiofenos ramificados
Ruiz-Delgado, María del Carmen; González-Cano, Rafael C.; Casado-Cordón, Juan; López-Navarrete, Juan Teodomiro (2013-07-30)Los politiofenos ramificados tridimensionales (3D) y oligotiofenos dendriméricos han sido recientemente desarrollados en la búsqueda de mejoras en los materiales para aplicaciones fotovoltaicas (por ejemplo, un mayor área ... -
Estudio del efecto fotocrómico reversible de un sistema quinoide basado en carbazol
Gámez-Valenzuela, Sergio; Badía-Domínguez, María Irene; Capel-Ferrón, Cristina; Ponce-Ortiz, Rocío; López-Navarrete, Juan Teodomiro; Hernández-Jolín, Víctor; Hartl, Frantisek; Li, Hongxiang; Ruiz-Delgado, María del Carmen[et al.] (2017-07-03)Hoy en día, el uso de materiales de naturaleza orgánica se presenta como un recurso ecológico y asequible para el diseño de dispositivos electrónicos. Entre ellos, los materiales sensibles a estímulos tienen además numerosas ... -
Evaluating the Role of Intermolecular Interactions in pi-conjugated Materials: What can we learn from DFT calculations and Raman Spectroscopy
Ruiz-Delgado, María del Carmen (2019-05-29)For practical applications in sensors, dynamic covalent chemistry and molecular (photochromic) switches, soft conjugated materials can be envisaged as promising functional materials.1 To advance in this research field, ... -
Formation of stimuli-responsive cyclophanes by self-assembly: the case of carbazole-based biradicals
Ruiz-Delgado, María del Carmen; Badía-Domínguez, María Irene; Hernández-Jolín, Víctor; Hartl, Frantisek; Hongxiang, Li; Sancho-García, Juan C.; Pérez Guardiola, Andrés; Rodríguez-González, Sandra[et al.] (2019-01-16)Dynamic covalent bonds has recently received lot of attention because of their unique feature to become reversible under mild conditions.[1] In this context, π-conjugated biradical compounds has emerged as essential building ... -
Fused Quinoidal Oligothiophenes Imides with High Electrical Conductivity
Harbuzaru, Alexandra; Ponce-Ortiz, Rocío; Ruiz-Delgado, María del Carmen; Yang, Kun; Guo, Xugang (2020-01-29)Organic diradicals are molecules containing two unpaired electrons, which are usually highly reactive.1-2 Although these organic diradicals present a wide range of potential applications, their air stability still remains ... -
Impact of the dicyanomethylene substitution position on the cyclophane macrocycle formation in carbazole-based biradicals
Badía-Domínguez, María Irene; Sakamaki, Daisuke; Seki, Shu; Hartl, Frantisek; López-Navarrete, Juan Teodomiro; Hernández-Jolín, Víctor; Ruiz-Delgado, María del Carmen; Hongxiang, Li[et al.] (2019-01-16)π-Conjugated biradical compounds, featuring unique unsaturated valences and radical centers in the ground state, are fundamentally important for understanding the nature of chemical bonds and have potential applications ... -
Impact of the Intermolecular Interactions on the Electronic and Charge-Transport Properties of Organic Materials: A Joint Experimental and Theoretical Approach
Ruiz-Delgado, María del Carmen (2018-01-15)The use of organic materials to design electronic devices has actually presented a broad interest because they constitute an ecological and suitable resource for our current "electronic world". These materials provide ... -
Improved prediction of the optical properties in pi-conjugated polymers: the case of benzochalcogenodiazole-based copolymers with different heteroatom substitution
Gámez Valenzuela, Sergio; Badía-Domínguez, María Irene; Herrero-Carvajal, Daniel; Gibson, G. L.; Seferos, D. S.; López-Navarrete, Juan Teodomiro; Ruiz-Delgado, María del Carmen[et al.] (2019-01-16)Donor−acceptor (D−A) approach to conjugated polymer design has become a widely used method for preparing conjugated polymers with narrow band gaps.1 One outstanding D−A polymer is poly(cyclopentadithiophene)benzothiadiazole, ... -
In silico design and Raman spectroscopy for a better understanding of the electronic properties of 2D polymers
Ruiz-Delgado, María del Carmen (2023-03-08)2D organic semiconducting polymers have emerged as an important class of materials that offer high potential for a variety of applications, such as energy storage, sensing or organic electronics. However, the design of ... -
Interaction effects of fermentation time and sourdough content on the size and acidity in bread
Lopez Moreno, Cristina; Ruiz-Delgado, María del Carmen; Ponce-Ortiz, Rocío; Otero-Fernández-de-Molina, Juan Carlos; López-Navarrete, Juan Teodomiro; Ramírez Márquez, Pedro; Ramírez Márquez, Salvador Jesús; Ramírez Montosa, Carlos; Ruiz Andújar, Indalecio[et al.] (2020-10-16)The use of sourdough to provide certain physical, organoleptic and nutritional properties to bread is one of the most used biotechnological processes in the production of cereal-based foods. Sourdough, yeast and fermentation ...