Mechanistic insights into azo compound back-isomerization from spin-flip time-dependent DFT combined with Marcus theory
Abstract
for the experimental entropy of activation) for azobenzene, thus motivating the extension of this methodology to other azo derivatives. This approach can be further generalized to a broader class of azo-based photo-switches in future studies.
Fields of Study & Subjects
Photochromic and Fluorescence Chemistry
Click Chemistry and Applications
Radical Photochemical Reactions
Publication details
- Journal / source
- Chemical Science
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 17
- Issue
- 24
- Pages
- 12111–12119
- Publication date
- 1 January 2026
- Language
- EN