The photoinduced isomerization mechanism of the 2-(1-(methylimino)methyl)-6-chlorophenol (SMAC): Nonadiabatic surface hopping dynamics simulations

The photophysical properties of the Schiff base family are crucial for their applications such as molecular switches and molecular memories. However, it was found that the photophysical behavior is not uniform for all Schiff base molecules, which shows a significant substituent dependent property. I...

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Veröffentlicht in:	The Journal of chemical physics 2018-07, Vol.149 (3), p.034309-034309
Hauptverfasser:	Zhao, Li, Liu, Jianyong, Zhou, Panwang
Format:	Artikel
Sprache:	eng
Schlagworte:	Chlorophenol Deactivation Imines Intersections Isomerization Molecular machines Protons Simulation Switches Twisting movement
Online-Zugang:	Volltext
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