Person:
Lora Maroto, Beatriz

First Name

Beatriz

Last Name

Lora Maroto

URI

https://hdl.handle.net/20.500.14352/76160

Affiliation

Universidad Complutense de Madrid

Faculty / Institute

Ciencias Químicas

Department

Química Orgánica

Area

Química Orgánica

Identifiers

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Now showing 1 - 9 of 9

Circularly Polarized Luminescence by Visible-Light Absorption in a Chiral O-BODIPY Dye: Unprecedented Design of CPL Organic Molecules from Achiral Chromophores
(Journal of the American Chemical Society, 2014) Márquez Sánchez-Carnerero, Esther María; Moreno Jiménez, Florencio; Lora Maroto, Beatriz; Rodríguez Agarrabeitia, Antonia; Ortíz García, María Josefa; Vo, Bryan G.; Muller, Gilles; Moya Cerero, Santiago de la
Circularly polarized luminescence (CPL) in simple (small, nonaggregated, nonpolymeric) O-BODIPYs(R)-1 and (S)-1 by irradiation with visible light is first detected as proof of the ability of a new structural design to achieve CPL from inherently achiral monochromophore systems in simple organic molecules. The measured level of CPL (|glum|) in solution falls into the usual range of that obtained from other simple organic molecules (10−5−10−2range), but the latter having more complex architectures since axially chiral chromophores or multichromophore systems are usually required. The new design is based on chirally perturbing the acting achiral chromophore by orthogonally tethering a single axially chiral 1,1′-binaphtyl moiety to it. The latter does not participate as a chromophore in the light-absorption/emission phenom-enon. This simple design opens up new perspectives for the future development of new small-sized CPL organic dyes (e.g., those based on other highly luminescent achiral chromophores and/or chirally perturbing moieties), as well as for the improvement of the CPL properties of the organic molecules spanning their use in photonic applications.
The Mechanism of Hydrolysis of Aryldiazonium Ions Revisited: Marcus Theory vs. Canonical Variational Transition State Theory
(European Journal of Organic Chemistry, 2013) García Martínez, Antonio; Moya Cerero, Santiago de la; Osío Barcina, José de Jesús; Moreno Jiménez, Florencio; Lora Maroto, Beatriz
Several models, theoretical levels and computational methods, all based on the canonical variational transition state approximation, have been used to predict both the experimental activation energies (ΔEexp≠) and the experimental activation free energies (ΔGexp≠) for the hydrolysis of aryldiazonium ions. It is demonstrated that the computation of activation energies (ΔE≠), instead of activation free energies (ΔG≠), agrees better with the corresponding experimental data, showing that the employed computational methods do not afford reliable entropic contributions to the free energy barriers in the case of the studied reaction. However, the most fitted computations of ΔE≠ were not able to clearly differentiate between the mechanisms proposed for this interesting reaction (SN1, SN2 and water cluster). In contrast, the use of the Marcus theory (hyperbolic-cosine equation) instead of the canonical variational transition state theory leads to excellent agreement between the in-water-computed activation energies (ΔEwM≠) and the corresponding ΔEexp≠ values for the SN2 mechanism, but far beyond the limit of error for the SN1 process. The validity of the Marcus theory for the studied SN1 and SN2 reactions is ensured by the fact that both reactions can be described as SET processes. On the other hand, apparently compelling evidence against the SN2 mechanism, such as 13C KIEs and experimental observation of N2 scrambling, are also discussed and alternative explanations are proposed.
Unprecedented induced axial chirality in a molecular BODIPY dye: strongly bisignated electronic circular dichroism in the visible region
(Chemical Communications, 2013) Márquez Sánchez-Carnerero, Esther María; Moreno Jiménez, Florencio; Lora Maroto, Beatriz; Rodríguez Agarrabeitia, Antonia; Bañuelos Prieto, Jorge; Arbeloa, Teresa; López Arbeloa, Íñigo María; Ortíz García, María Josefa; Moya Cerero, Santiago de la
Enantiomeric bis(BODIPYs) 1a and 1b exhibit strong bisignated ECD due to the formation of a stable helical conformation with induced axial chirality, which allows efficient excito coupling of the BODIPY chromophores in the Vis region.
Spiranic BODIPYs: a ground-breaking design to improve the energy transfer in molecular cassettes
(Chemical Communications, 2014) Márquez Sánchez-Carnerero, Esther María; Gartzia-Rivero, Leire; Moreno Jiménez, Florencio; Lora Maroto, Beatriz; Rodríguez Agarrabeitia, Antonia; Ortiz García, María Josefa; Bañuelos Prieto, Jorge; López Arbeloa, Íñigo María; Moya Cerero, Santiago De La
Boosted excitation energy transfer in spiranic O BODIPY/polyarenecassettes, when compared with the parent non-spiranic (flexible) system, is highlighted as a proof for the ability of a new structural design to improve the energy transfer in molecular cassettes
Preparation of dipyrrins from F-BODIPYs by treatment with methanesulfonic acids
(RSC Advances, 2015) Urieta Mora, Javier; Lora Maroto, Beatriz; Moreno Jiménez, Florencio; Rodríguez Agarrabeitia, Antonia; Ortiz García, María Josefa; Moya Cerero, Santiago De La
An alternative metal-free soft procedure for the preparation of dipyrrins from F-BODIPYs is reported. The new method makes possible to obtain certain dipyrrin derivatives that were unaccessible from F-BODIPYs to date. To demonstrate the ability of the new procedure, dipyrrins having highly reactive groups, such as chloro, cyano or acetoxyl, have been easily obtained from the corresponding F-BODIPY, which shows the synthetic utility of the reported methodology.
Bis(haloBODIPYs) with Labile Helicity: Valuable Simple Organic Molecules That Enable Circularly Polarized Luminescence
(Chemistry: a european journal, 2016) Ray Leiva, César; Márquez Sánchez-Carnerero, Esther María; Moreno Jiménez, Florencio; Lora Maroto, Beatriz; Rodríguez Agarrabeitia, Antonia; Ortiz García, María Josefa; López Arbeloa, Íñigo María; Bañuelos Prieto, Jorge; Cohovi, Komlan D.; Lunkley, jamie L.; Muller, Gilles; Moya Cerero, Santiago De La
Simple organic molecules (SOM) based on bis(haloBODIPY) are shown to enable circularly polarized luminescence (CPL), giving rise to a new structural design for technologically valuable CPL-SOMs. The established design comprises together synthetic accessibility, labile helicity, possibility of reversing the handedness of the circularly polarized emission, and reactive functional groups, making it unique and attractive as advantageous platform for the development of smart CPL-SOMs.
Circularly Polarized Luminescence from Simple Organic Molecules
(Chemistry: a european journal, 2015) Márquez Sánchez-Carnerero, Esther María; Rodríguez Agarrabeitia, Antonia; Moreno Jiménez, Florencio; Lora Maroto, Beatriz; Muller, Gilles; Ortiz García, María Josefa; Moya Cerero, Santiago De La
This article aims to show the identity of “circularly polarized luminescent active simple organic molecules” as a new concept in organic chemistry due to the potential interest of these molecules, as availed by the exponentially growing number of research articles related to them. In particular, it describes and highlights the interest and difficulty in developing chiral simple (small and non-aggregated) organic molecules able to emit left- or right-circularly polarized light efficiently, the efforts realized up to now to reach this challenging objective, and the most significant milestones achieved to date. General guidelines for the preparation of these interesting molecules are also presented.
Project number: 76
Adquisición de competencias en los laboratorios de Química Orgánica General: evaluación de satisfacción, propuestas de mejora y adaptación al alumnado con Necesidades Educativas Especiales
(2018) Martínez Ruíz, Paloma; Moya Cerero, Santiago; Lora Maroto, Beatriz; García Sánchez, Laura; Mayol Hornero, Beatriz; Pérez Calabuig, Ana María
El Proyecto de Innovación Educativa tuvo como Objetivo Principal la elaboración de una propuesta mejorada del programa de Laboratorio de Prácticas de Química Orgánica I, asignatura troncal de la Titulación de Grado en Química de la UCM, basada en el desarrollo de herramientas de análisis de prácticas experimentales de laboratorio que permitan la adquisición de las competencias de la asignatura por parte de los estudiantes, haciendo también accesible la actividad a aquellos que presentan Discapacidad o Necesidades Educativas Especiales.
Chiral microneedles from an achiral bis(boron dipyrromethene): spontaneous mirror symmetry breaking leading to a promising photoluminescent organic material
(Langmuir, 2019) Gartzia-Rivero, Leire; Ray Leiva, César; Sánchez Carnerero, Esther M. Márquez; Bañuelos, Jorge; Moreno Jiménez, Florencio; Lora Maroto, Beatriz; García Moreno, Inmacualada; Infantes, Lourdes; Méndez Martín, María Bianchi; López Arbeloa, Íñigo María
Supramolecular self-assembly of a highly flexible and achiral meso bis(boron dipyrromethene) [bis-(BODIPY)] dye straightforwardly yields fluorescent micro-fibers, exhibiting an intriguing anisotropic photonic behavior. This performance includes the generation of chiroptical activity owing to spontaneous mirror symmetry breaking (SMSB). Repetition of several self-assembly experiments demonstrates that the involved SMSB is not stochastic but quasi deterministic in the direction of the induced chiral asymmetry. The origin of these intriguing (chiro)photonic properties is revealed by fluorescent microspectroscopy studies of individual micrometric objects, combined with X-ray diffraction elucidation of microcrystals. Such a study demonstrates that J-like excitonic coupling between bis(BODIPY) units plays a fundamental role in their supramolecular organization, leading to axial chirality. Interestingly, the photonic behavior of the obtained fibers is ruled by inherent nonradiative pathways from the involved push-pull chromophores, and mainly by the complex excitonic interactions induced by their anisotropic supramolecular organization.