Internal Oriented Electric Fields as a Strategy for Selectively Modifying Photochemical Reactivity
Time-dependent density functional theory calculations have been performed on acetophenone derivatives to explore the possibility of using charged functional groups as internal electric fields, the orientation of which can be altered to change photochemical behavior at will. Results demonstrate that nonconjugated charged groups can significantly alter, by up to −1.44 eV, the stabilities of excited states. Specifically, a nonconjugated negatively charged group in the para position will...[Show more]
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|Source:||Journal of the American Chemical Society|
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