© 2018 American Chemical Society. 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.
|Publication status||Published - 1 Jan 2018|
Rodríguez-Fortea, A., Kaleta, J., Meziere, C., Allain, M., Canadell, E., Wzietek, P., Michl, J., & Batail, P. (2018). Asymmetric choreography in pairs of orthogonal rotors. ACS omega, 3(1), 1293-1297. https://doi.org/10.1021/acsomega.7b01580