title: Conformational Slippage Determines Rotational Frequency in Five-Component Nanorotors.
abstract: Several five-component nanorotors ROT-3 that rotate at different rates were prepared by adding phenanthrolines of distinct lateral size as brake blocks to the four-component nanorotor ROT-2. The brake blocks interfere with the 180° rotor causing the rotational frequency to drop from 97 kHz to 5 kHz. The effect of the rotating brake blocks on the rotational frequency in ROT-3 is accurately predicted by a nanomechanical model called "conformational slippage". For quantification, the interaction of the brake blocks with the trajectory of the main rotator is gauged based on the number of interfering vs. non-interfering conformations as computed by PM6.
authors.affiliation: Center of Micro- and Nanochemistry and Engineering, Organische Chemie I, Universität Siegen, Adolf-Reichwein-Strasse 2, 57068, Siegen, Germany.
authors.forename: Soumen K
authors.initials: SK
authors.lastname: Samanta
authors.affiliation: Center of Micro- and Nanochemistry and Engineering, Organische Chemie I, Universität Siegen, Adolf-Reichwein-Strasse 2, 57068, Siegen, Germany.
authors.forename: Anup
authors.initials: A
authors.lastname: Rana
authors.affiliation: Center of Micro- and Nanochemistry and Engineering, Organische Chemie I, Universität Siegen, Adolf-Reichwein-Strasse 2, 57068, Siegen, Germany. schmittel@chemie.uni-siegen.de.
authors.forename: Michael
authors.identifier: http://orcid.org/0000-0001-8622-2883
authors.initials: M
authors.lastname: Schmittel
keywords: NMR spectroscopy; coordination chemistry; rate regulation; rotation; supramolecular chemistry