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Pinpointing Mechanochemical Bond Rupture by Embedding the Mechanophore into a Macrocycle |
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| Authors: | Dipl.‐Chem. Doreen Schütze M. Sc. Katharina Holz M. Sc. Julian Müller Prof. Dr. Martin K. Beyer Prof. Dr. Ulrich Lüning Prof. Dr. Bernd Hartke |
| Affiliation: | 1. Institut für Physikalische Chemie, Christian‐Albrechts‐Universit?t zu Kiel, Olshausenstra?e 40, 24098 Kiel (Germany) http://ravel.pctc.uni‐kiel.de/;2. Otto‐Diels‐Institut für Organische Chemie, Christian‐Albrechts‐Universit?t zu Kiel, Olshausenstra?e 40, 24098 Kiel (Germany) http://www.luening.otto‐diels‐institut.de/de;3. Institut für Ionenphysik und Angewandte Physik, Leopold‐Franzens‐Universit?t Innsbruck, Technikerstra?e 25, 6020 Innsbruck (Austria) http://www.uibk.ac.at/ionen‐angewandte‐physik/ |
| Abstract: | Mechanophores contain a mechanically labile bond that can be broken by an external mechanical force. Quantitative measurement and control of the applied force is possible through atomic force microscopy (AFM). A macrocycle was synthesized that contains both the mechanophore and an aliphatic chain that acts as a “safety line” upon bond breaking. This ring‐opening mechanophore unit is linked to poly(ethylene glycol) spacers, which allow investigation by single molecule force spectroscopy. The length increase upon rupture of the mechanophore was measured and compared with quantum chemical calculations. |
| Keywords: | cycloreversion DFT calculations macrocycles mechanophores single‐molecule force spectroscopy |