Distortion‐Controlled Redshift of Organic Dye Molecules

It is shown, quantum chemically, how structural distortion of an aromatic dye molecule can be leveraged to rationally tune its optoelectronic properties. By using a quantitative Kohn–Sham molecular orbital (KS‐MO) approach, in combination with time‐dependent DFT (TD‐DFT), the influence of various st...

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Detalles Bibliográficos
Autores principales: Narsaria, Ayush K., Poater, Jordi, Fonseca Guerra, Célia, Ehlers, Andreas W., Hamlin, Trevor A., Lammertsma, Koop, Bickelhaupt, F. Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2020
Materias:
Full Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7027851/
https://www.ncbi.nlm.nih.gov/pubmed/31815315
http://dx.doi.org/10.1002/chem.201905355

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7027851/
https://www.ncbi.nlm.nih.gov/pubmed/31815315
http://dx.doi.org/10.1002/chem.201905355

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