Quantitative prediction of excited-state decay rates for radical anion photocatalysts

Author:

Mena Leandro D.12ORCID,Borioni José L.12ORCID,Caby Sofia12ORCID,Enders Patrick34ORCID,Argüello Cordero Miguel A.5ORCID,Fennel Franziska5ORCID,Francke Robert34ORCID,Lochbrunner Stefan5ORCID,Bardagi Javier I.12ORCID

Affiliation:

1. Instituto de Investigaciones en Fisicoquímica de Córdoba (INFIQC-CONICET), Córdoba, Argentina

2. Departamento de Química Orgánica, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Ciudad Universitaria, X5000HUA, Córdoba, Argentina

3. Leibniz Institute for Catalysis, Albert-Einstein-Str. 29a, Rostock 18059, Germany

4. Institute of Chemistry, Rostock University, Albert-Einstein-Str. 29a, Rostock 18059, Germany

5. Institute for Physics and Department of Life, Light and Matter, Rostock University, Rostock 18051, Germany

Abstract

We present a computational approach for predicting key properties of organic radical anions, including excited-state lifetimes and redox potentials.

Funder

Deutscher Akademischer Austauschdienst

Fondo para la Investigación Científica y Tecnológica

Deutsche Forschungsgemeinschaft

Consejo Nacional de Investigaciones Científicas y Técnicas

Secretaria de Ciencia y Tecnología - Universidad Nacional de Córdoba

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis

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