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Issue 18, 2016
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On the design of atropisomer-separable photochromic diarylethene-based metal–organic framework linkers

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Abstract

The relative stability and accessibility of atropisomers plays a prominent role in the efficacy of diarylethene-based photochromic materials. Herein, DFT methods, using the ωB97XD functional and a 6-31G(d) basis, are employed to determine the local energetic minima and maxima which describe the rotation of a thiophene group in derivatives of 9,10-bis(2-methyl-5-pheylthiophen-3-yl)phenanthrene-2,7-dicarboxylic acid, a photochromic linker molecule which exhibits atropisomer-formation-related fatigue when incorporated into a metal–organic framework. Results of these potential energy surface mapping calculations as well as their applications to atropisomer separability are discussed.

Graphical abstract: On the design of atropisomer-separable photochromic diarylethene-based metal–organic framework linkers

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Publication details

The article was received on 11 Jan 2016, accepted on 08 Feb 2016 and first published on 10 Feb 2016


Article type: Paper
DOI: 10.1039/C6TC00131A
Citation: J. Mater. Chem. C, 2016,4, 4028-4033
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    On the design of atropisomer-separable photochromic diarylethene-based metal–organic framework linkers

    J. M. Cox, I. M. Walton and J. B. Benedict, J. Mater. Chem. C, 2016, 4, 4028
    DOI: 10.1039/C6TC00131A

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