| Autor: |
Daniel M, Adrion, Danil S, Kaliakin, Patrick, Neal, Steven A, Lopez |
| Rok vydání: |
2021 |
| Zdroj: |
The journal of physical chemistry. A. 125(29) |
| ISSN: |
1520-5215 |
| Popis: |
Molecular photoswitches use light to interconvert from a thermodynamically stable isomer into a metastable isomer. Photoswitches have been used in photopharmacology, catalysis, and molecular solar thermal (MOST) materials because of their spatiotemporal activation. Visible-light-absorbing photoswitches are especially attractive because low-energy light minimizes undesired photochemical reactions and enables biological applications. Ideal photoswitches require well-separated absorption spectra for both isomers and long-lived metastable states. However, predicting thermal half-lives with density functional theory is difficult because it requires locating transition structures and chosing an accurate model chemistry. We now report |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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