Abstract
We simulate the properties of a photochromic blend synthesized by Myles, Wigglesworth and Branda [Adv. Mater. 15 (2003) 745] using ab initio tools. This hybrid multi-addressable molecular switch contains a dithienylethene moiety linked to a phenoxynaphthacenequinone group and exhibits four isomers with distinguishable excited-state features. In the first part of this work, we investigate the properties of model (isolated) dithienylethene and phenoxynaphthacenequinone photochromes, with a focus on the second family that was not fully characterized theoretically previously. In the second stage, the spectral properties of the blend are evaluated with the help of (Time-Dependent) Density Functional Theory.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Journal of Photochemistry & Photobiology, A: Chemistry
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
