Ultrafast ESIPT dynamics of 4-methyl-2,6-diformylphenol
We investigate the gas-phase photodynamics associated with the S1 (nπ*), S2 (ππ*) and S3 (nπ*) states of 4-methyl-2,6-diformylphenol using trajectory-based surface hopping dynamics simulations. A rapid internal conversion would populate S1 and S3 upon initiating the trajectories on “bright” S2. This...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-12-01
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| Series: | Chemical Physics Impact |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S266702242300141X |