Irene Martín

Instituto de Química Orgánica General

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Enrique Gutiérrez‐Puebla

Instituto de Ciencia de Materiales de Madrid

Marcelo Echeverri

Instituto de Ciencia de Materiales de Madrid

Berta Gómez‐Lor

Instituto de Ciencia de Materiales de Madrid

Constanza Ruiz

Instituto de Ciencia de Materiales de Madrid

Alberto Concellón

Instituto de Nanociencia y Materiales de Aragón

José Luís Serrano

Universidad de Zaragoza

María San Anselmo

Instituto de Nanociencia y Materiales de Aragón

ÁM

Ángeles Monge

Consejo Superior de Investigaciones Científicas

Lina M. Aguirre‐Díaz

Instituto de Ciencia de Materiales de Madrid

Sergio Gámez‐Valenzuela

Universidad de Málaga

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Consejo Superior de Investigaciones Científicas

Instituto de Ciencia de Materiales de Madrid

Science Factory

Universidad de Zaragoza

Instituto de Química Orgánica General

International Council on Mining and Metals

Instituto de Nanociencia y Materiales de Aragón

Universidad Autónoma de Madrid

Universidad de Málaga

Institut Laue-Langevin

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Palladium‐Catalyzed Hydroarylation of Homopropargyl Iodoindoles with Concurrent Alkyl and Iodonium Migrations

Advanced Synthesis & Catalysis (2021)

Irene Martín Cristina Aragoncillo Pedro Almendros

Abstract A selective palladium‐catalyzed C( sp ) arylation/carbocyclization/iodonium migration reaction sequence has been accomplished. Novel 2‐iodo‐1‐aryl‐9 H ‐carbazoles are now easily available. As this result is contrary to the selectivity observed using gold catalysis, the formation of 2‐iodocarbazoles is noticeable, suggesting a metal‐controlled cyclization through chemo‐ and regioselective 1,2‐alkyl migration and 1,4‐iodonium migration. magnified image

10.1002/adsc.202001267

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Fluorescent and Electroactive Monoalkyl BTD-Based Liquid Crystals with Tunable Self-Assembling and Electronic Properties

ACS Omega (2018)

Marcelo Echeverri Irene Martín Alberto Concellón Constanza Ruiz María San Anselmo

We report here on a series of redox active benzothiadiazole-based luminophores functionalized on one edge with a phenyl-nonyl substituent, which confers these molecules a rodlike shape and a tendency to self-assemble into layered superstructures. On the other edge, the molecules are endowed with different p-substituted phenyl rings, which allows the modulation of their redox and optical properties on the basis of the electronic nature of the terminal substituents. We have found that just one lateral alkyl chain is sufficient to induce mesomorphism in these molecules, which present nematic or smectic mesophases upon thermal treatment. Single-crystal analysis allows us to get an insight into the nature of the forces responsible for different supramolecular assemblies in these derivatives, and point to a strong contribution of the terminal groups in the different arrangements observed. The interesting redox and optical properties together with their self-assembling tendencies render these new materials interesting candidates for optoelectronics.

10.1021/acsomega.8b01696

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Citations (19)

CCDC 1536461: Experimental Crystal Structure Determination

The Cambridge Structural Database (2020)

Marcelo Echeverri Constanza Ruiz Sergio Gámez‐Valenzuela Irene Martín M. Carmen Ruiz Delgado

10.5517/ccdc.csd.cc1nkt89

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CCDC 1834993: Experimental Crystal Structure Determination

The Cambridge Structural Database (2018)

Marcelo Echeverri Irene Martín Alberto Concellón Constanza Ruiz María San Anselmo

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/ccdc.csd.cc1zlgbc

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Raman Spectroscopic Analysis of CO2-Water Mixtures Containing Kinetic Hydrate Inhibitors

Irene Martín

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Untangling the Mechanochromic Properties of Benzothiadiazole-Based Luminescent Polymorphs through Supramolecular Organic Framework Topology

Journal of the American Chemical Society (2020)

Marcelo Echeverri Constanza Ruiz Sergio Gámez‐Valenzuela Irene Martín M. Carmen Ruiz Delgado

Two new luminophore polymorphs of 4-bromo-7-(4-nonylphenyl)benzo[c][1,2,5]thiadiazole (1α and 1β) exhibiting different color emissions, which switch into each other in response to shear force and solvent vapors, are presented and their X-ray structure is determined. Supramolecular organic framework topology (SOFT) studies on the two polymorphic structures led us to conclude that the mechanochromic phase transformation can be explained on the basis of modifications in their respective topological nets: mab and pcu for 1α and 1β, respectively, as a result of the breaking and restoration of a number of weak supramolecular interactions. The color changes accompanying this transformation have been rationalized with the help of time-dependent density functional theory. We firmly believe that our findings will inspire future research on the design of novel stimuli-responsive organic materials with switchable properties based on their supramolecular interactions by establishing clear SOFT-property relationships.

10.1021/jacs.0c08059

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Citations (56)

CCDC 1536460: Experimental Crystal Structure Determination

The Cambridge Structural Database (2020)

Marcelo Echeverri Constanza Ruiz Sergio Gámez‐Valenzuela Irene Martín M. Carmen Ruiz Delgado

10.5517/ccdc.csd.cc1nkt78

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CCDC 1834974: Experimental Crystal Structure Determination

The Cambridge Structural Database (2018)

Marcelo Echeverri Irene Martín Alberto Concellón Constanza Ruiz María San Anselmo