title: Pinpointing mechanochemical bond rupture by embedding the mechanophore into a macrocycle.
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.
authors.affiliation: Institut für Physikalische Chemie, Christian-Albrechts-Universität zu Kiel, Olshausenstraße 40, 24098 Kiel (Germany) http://ravel.pctc.uni-kiel.de/
authors.forename: Doreen
authors.initials: D
authors.lastname: Schütze
authors.forename: Katharina
authors.initials: K
authors.lastname: Holz
authors.forename: Julian
authors.initials: J
authors.lastname: Müller
authors.forename: Martin K
authors.initials: MK
authors.lastname: Beyer
authors.forename: Ulrich
authors.initials: U
authors.lastname: Lüning
authors.forename: Bernd
authors.initials: B
authors.lastname: Hartke
keywords: DFT calculations; cycloreversion; macrocycles; mechanophores; single-molecule force spectroscopy