Force-spectrum relations for molecular optical force probes

Force probes allow real-time monitoring of forces acting in different regions of large molecules and are potentially suited for the investigation of structural changes occurring in macromolecules during, e. g., folding processes.1-10 Such information is crucial for the understanding of mechanochemic...

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Hauptverfasser: Neudecker, Tim (VerfasserIn) , Dreuw, Andreas (VerfasserIn)
Dokumenttyp: Article (Journal)
Sprache:Englisch
Veröffentlicht: 31 January 2014
In: Angewandte Chemie. International edition
Year: 2014, Jahrgang: 53, Heft: 10, Pages: 2759-2761
ISSN:1521-3773
DOI:10.1002/anie.201309794
Online-Zugang:Verlag, Volltext: http://dx.doi.org/10.1002/anie.201309794
Verlag, Volltext: http://onlinelibrary.wiley.com/doi/10.1002/anie.201309794/abstract
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Verfasserangaben:Tim Stauch and Andreas Dreuw

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520 |a Force probes allow real-time monitoring of forces acting in different regions of large molecules and are potentially suited for the investigation of structural changes occurring in macromolecules during, e. g., folding processes.1-10 Such information is crucial for the understanding of mechanochemical reactivity.2, 3, 6, 7 To this end, small molecular force probes can be incorporated into large molecules.2, 3, 11-13 Some of the available systems are based on mechanochromism, the change of the UV/Vis absorption spectrum of a molecule under mechanical stress.1, 14 Herein we propose the idea of using molecular force probes in which the point-group symmetry is reduced as a result of mechanical deformation. This effect leads to significant and characteristic changes in the UV/Vis, IR, and Raman spectra of the deformed molecules, which were determined using computational methods. Beneficially, these changes are reversible and occur even if the applied forces are small. 
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