Femtosecond studies of double proton transfer in photoexcited [2,2’-bipyridyl]-3,3’-diol in solution
✍ Scribed by M. Glasbeek; P. Toele; H. Zhang
- Book ID
- 108344336
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 95 KB
- Volume
- 94-95
- Category
- Article
- ISSN
- 0022-2313
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## Thermochemical and mechanistic aspects of tautomerization resulting from proton transfer in [2,2'-bipyridyl]-3,3'-diol have been investigated by ab initio computations. From a classical point of view, complete characterization of energy minima and first-order saddle points indicates that proton
## Abstract __Density functional theory and quantum dynamics simulations have been used to study the double‐proton transfer reaction in 2,2′‐bipyridyl‐3,3′‐diol in the first singlet excited electronic state. This process is experimentally known to be branched: It consists of a fast, concerted react
We report on a subpicosecond fluorescence study of [2,2'-bipyridyl]-3,3'-diol using the fluorescent up-conversion technique with a time resolution of --300 fs. A new short-living fluorescence band, peaking at 568 nm, is observed, which is attributed to the emissive keto-enol tautomer. This tautomer