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Photochemistry of hydrogen-bonded aromatic pairs: Quantum dynamical calculations for the pyrrole–pyridine complex
The photochemical dynamics of the pyrrole–pyridine hydrogen-bonded complex has been investigated with computational methods. In this system, a highly polar charge-transfer state of (1)ππ* character drives the proton transfer from pyrrole to pyridine, leading to a conical intersection of S(1) and S(0...
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| Auteurs principaux: | , , , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
National Academy of Sciences
2008
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2529040/ https://ncbi.nlm.nih.gov/pubmed/18663223 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0801062105 |
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