Research Article

Detailed Molecular Dynamics of the Photochromic Reaction of Spiropyran: A Semiclassical Dynamics Study

Figure 4

Snapshots taken at different times in a simulation of trans-SP in response to excitation by a 80 fs (FWHM) laser pulse with a fluence of 0.139 kJ/m2 and photon energy of 3.972 eV, Atom C, H, N, and O are, respectively, denoted by dark grey, French grey, blue, and red; (a)–(f) are at 0 fs, 244 fs, 422 fs, 616 fs, 4848 fs, and 15000 fs, respectively [41].
541791.fig.004a
(a) 0 fs
541791.fig.004b
(b) 244 fs
541791.fig.004c
(c) 422 fs
541791.fig.004d
(d) 616 fs
541791.fig.004e
(e) 4848 fs
541791.fig.004f
(f) 15000 fs