ma8b01919_si_001.docx (2.51 MB)
Mechanical Reactivity of Two Different Spiropyran Mechanophores in Polydimethylsiloxane
journal contribution
posted on 2018-11-07, 21:22 authored by Tae Ann Kim, Maxwell J. Robb, Jeffrey S. Moore, Scott R. White, Nancy R. SottosWe
investigate the effect of pulling point location on the mechanochemical
activation of two isomers of spiropyran in cross-linked polymeric
materials through computational calculations and in situ fluorescence
measurements. The threshold stress and strain required to activate
the spiropyran mechanophores under tensile load are characterized.
For both spiropyran isomers, applied stress favors the activated merocyanine
states; however, despite differences in mechanochemical behavior predicted
by quantum chemical calculations and previous single molecule experiments,
both spiropyran isomers exhibit similar mechanochemical reactivity
in bulk polymeric materials. The kinetics of the spiropyran–merocyanine
transition under different tensile stresses are also examined. Overall,
we find that varying the pulling geometry on the spiropyran mechanophore
has only a minimal effect on the mechanical activation in bulk polymeric
materials due to the complex nature of the macroscopic system.
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Keywords
Different Spiropyran Mechanophoresquantum chemical calculationspoint locationmacroscopic systemmechanochemical activationMechanical Reactivitythreshold stressspiropyran isomersspiropyran isomers exhibitmerocyanine statesspiropyran mechanophoresmaterialfluorescence measurementsmechanochemical behaviormechanochemical reactivitymolecule experimentsspiropyran mechanophore
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