Research Article

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.
541791.fig.001a
(a) 0 fs
541791.fig.001b
(b) 86 fs
541791.fig.001c
(c) 254 fs
541791.fig.001d
(d) 402 fs
541791.fig.001e
(e) 1658 fs
541791.fig.001f
(f) 15000 fs