Gearing motion in cogwheel pairs of molecular rotors: weak-coupling limit. Issue 41 (2nd October 2015) - Kaleta, Jiří
Abstract : Investigation of the rotor dynamics by X-ray diffraction, spin–lattice relaxation, and DFT modelling of the two rotational barriers in arrays of rod-like molecules with 1, 3-bis(ethynyl)bicyclo[1.1.1]pentane rotators conclude to gearing motion between two rotors in a pair. Abstract : Variable-temperature (VT) crystal structures, VT 1 H spin–lattice relaxation in static crystals, and DFT modelling of the rotational barriers of BCP rotators in crystalline arrays of a rod-like molecule containing two 1, 3-bis(ethynyl)bicyclo[1.1.1]pentane (BCP) units demonstrate that a correlated gearing motion occurs in the limit of a weak coupling between two rotors in a pair.