A tunable photo-release mechanism of phototrigger compound varying the pH value and excitation wavelength
| Autor: | Xuebo Chen, Xiaorui Zhang, Lishuang Ma, Qin Zhao |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
Proton
Decarboxylation Chemistry General Physics and Astronomy 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology Photochemistry 01 natural sciences 0104 chemical sciences Photoexcitation Delocalized electron Ab initio quantum chemistry methods Intramolecular force Moiety Physical and Theoretical Chemistry 0210 nano-technology Carbanion |
| Zdroj: | Chemical Physics Letters. 730:253-258 |
| ISSN: | 0009-2614 |
| Popis: | A tunable mechanism has been investigated to control the photo-release behavior of phototrigger compound (KP-OAc) by Multi-configurational ab initio calculations. The photo-transformations of KP-OAc in the basic and acidic forms are triggered by the photoexcitation at 323 and 252 nm, respectively. The former one can produce the carbanion intermediate followed by the release of AcO− group induced by the efficient charge delocalization of carbanion moiety. While the photorelease channel is switched off in the latter case, for only the triplet biradical intermediate could be yielded when the decarboxylation is driven by the water aided excited-state intramolecular proton transfer (ESIPT). |
| Databáze: | OpenAIRE |
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