Detailed Molecular Dynamics of the Photochromic Reaction of Spiropyran: A Semiclassical Dynamics Study
Figure 1
Snapshots taken at different times in a simulation of cis-SP in response to excitation by a 80 fs (FWHM) laser pulse with a fluence of 0.188 kJ/m2 and photon energy of 4.054 eV, Atom C, H, N, and O are, respectively, denoted by dark grey, French grey, blue, and red; (a)–(f) are at 0 fs, 86 fs, 254 fs, 402 fs, 1658 fs, and 15000 fs, respectively.