Abstract
We have investigated the visible spectra of closed-ring diarylethenes based on maleimide bridges. Our simulations have been performed with an ab initio time-dependent density functional theory approach that takes into account bulk environmental effects. The computed λmax almost quantitatively agree with experimental data, with a mean absolute error limited to 13 nm for the 26 investigated photochroms.
Original language | French |
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Pages (from-to) | 1227-1233 |
Number of pages | 7 |
Journal | Comptes Rendus Chimie |
Volume | 10 |
Issue number | 12 |
DOIs | |
Publication status | Published - 2007 |