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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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Dettagli Bibliografici
Pubblicato in:Chemistry
Autori principali: Narsaria, Ayush K., Poater, Jordi, Fonseca Guerra, Célia, Ehlers, Andreas W., Hamlin, Trevor A., Lammertsma, Koop, Bickelhaupt, F. Matthias
Natura: Artigo
Lingua:Inglês
Pubblicazione: John Wiley and Sons Inc. 2020
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC7027851/
https://ncbi.nlm.nih.gov/pubmed/31815315
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/chem.201905355
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