Full ring closing in a diarylethene hexamer: insights from theory

Chem Commun (Camb). 2013 May 14;49(39):4247-9. doi: 10.1039/c2cc37043c. Epub 2012 Nov 7.

Abstract

First principle simulations of an extended hexameric molecular switch are reported. The full switching of the system is explained by investigating the nature of the excited states of all possible isomers. A new multi-addressable asymmetric structure is proposed.