Skip navigation
Skip navigation

Internal Oriented Electric Fields as a Strategy for Selectively Modifying Photochemical Reactivity

Hill, Nicholas; Coote, Michelle


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]

CollectionsANU Research Publications
Date published: 2018
Type: Journal article
Source: Journal of the American Chemical Society
DOI: 10.1021/jacs.8b12009


File Description SizeFormat Image
01_Hill_Internal_Oriented_Electric_2018.pdf913.2 kBAdobe PDF    Request a copy

Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  19 May 2020/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator