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Abstract
In order to theoretically design multi-state photoswitches with specific properties, an exhaustive computational study is first carried out for an azobenzene dimer that has been recently synthesized and experimentally studied. This study allows for a full comprehension of the factors that govern the photoactivated isomerization processes of these molecules so to provide a conceptual/computational protocol that can be applied to generic multi-state photoswitches. From this knowledge a new dimer with a similar chemical design is designed and also fully characterized. Our theoretical calculations predict that the new dimer proposed is one step further in the quest for a double photoswitch, where the four metastable isomers could be selectively interconverted through the use of different irradiation sequences.
Original language | English |
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Journal | International Journal of Molecular Sciences |
Volume | 23 |
Issue number | 15 |
DOIs | |
Publication status | Published - 2022 |
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Dive into the research topics of 'On the Computational Design of Azobenzene-Based Multi-State Photoswitches'. Together they form a unique fingerprint.Projects
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USO DE LA INGENIERIA BIOMOLECULAR Y DE LA FOTOFARMACOLOGIA TEORICAS PARA DISEÑAR Y OBTENER NUEVOS FARMACOS PARA ENFERMEDADES HUMANAS, INCLUYENDO LA COVID-19
Lluch Lopez, J. M. (Principal Investigator), Gonzalez Lafont, M. D. A. (Principal Investigator 2), Canyelles-Niño, M. (Collaborator), Cruz Saez, A. (Collaborator), Gelabert Peiri, R. (Investigator), Moreno Ferrer, M. (Investigator) & Perez Sanchez, A. (Collaborator)
1/09/21 → 31/03/25
Project: Research Projects and Other Grants