A curve-crossing model to rationalize and optimize diarylethene dyads.

ABSTRACT: Going from photochromic compounds presenting a single switchable function to multi-addressable photochromic multimers remains an extremely difficult task notably because the interactions of several photochromic units through a linker generally result in a substantial loss of photoactivity. Due to their size and the intrinsic complexity of their electronic structure, coupled photochromes also constitute a fundamental challenge for theoretical chemistry. We present here an effective curve-crossing model that, used in connection with easily accessible ab initio data, allows a first understanding of the difficulty to obtain efficient multiphotochromes. Indeed, we demonstrate that extra crossing points, specific to multiphotochromes, have to be passed to ensure reactivity. In addition, t

SUBMITTER: Lasorne B 

PROVIDER: S-EPMC5975843 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature