Asymmetric Choreography in Pairs of Orthogonal Rotors

Identificador:  imarina:5132289

Handle: https://hdl.handle.net/20.500.11797/imarina5132289

Autores:  Rodríguez-Fortea, A; Kaleta, J; Mézière, C; Allain, M; Canadell, E; Wzietek, P; Michl, J; Batail, P

Resumen:
An asymmetric mechanism for correlated motion occurring in noninteracting pairs of adjacent orthogonal 1,4-bis(carboxyethynyl)bicyclo[1.1.1]pentane (BCP) rotators 1 in the solid state is unraveled and shown to play an important role in understanding the dynamics in the crystalline rotor, Bu4N+[1-]·H2O. Single crystal X-ray diffraction and calculation of rotor-rotor interaction energies combined with variable-temperature, variable-field 1H spin-lattice relaxation experiments led to the identification and microscopic rationalization of two distinct relaxation processes.