1. Ground and ElectronicallyExcited Singlet State Structuresof the synand antiRotamers of 5-Hydroxyindole.
- Author
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Oeltermann, Olivia, Brand, Christian, Wilke, Martin, and Schmitt, Michael
- Subjects
- *
GROUND state (Quantum mechanics) , *EXCITED state chemistry , *SINGLET state (Quantum mechanics) , *ELECTRONIC band structure , *ELECTRONIC spectra , *QUANTUM theory - Abstract
The electronic origin bands A and B of 5-hydroxyindolewere measuredusing rotationally resolved electronic spectroscopy. From comparisonof the experimental rotational constants to the results of ab initiocalculated structures, we could make the assignment of band A beingdue to the synconformer and of band B being dueto the anticonformer. These conformers, which differin the orientation of the hydroxy group with respect to the rest ofthe molecule, have considerably different S1state lifetimes. The most probable explanation for this surprising finding isa different conical intersection of the ππ* states ofboth conformers with the repulsive πσ* state. [ABSTRACT FROM AUTHOR]
- Published
- 2012
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