Asymmetric Choreography in Pairs of Orthogonal Rotors.

Authors :: Rodríguez-Fortea A
Kaleta J
Mézière C
Allain M
Canadell E
Wzietek P
Michl J
Batail P
Source :: ACS omega [ACS Omega] 2018 Jan 31; Vol. 3 (1), pp. 1293-1297. Date of Electronic Publication: 2018 Jan 30.
Publication Year :: 2018
Abstract: 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, Bu <subscript>4</subscript> N <superscript>+</superscript> [ 1 <superscript>-</superscript> ]·H <subscript>2</subscript> O. Single crystal X-ray diffraction and calculation of rotor-rotor interaction energies combined with variable-temperature, variable-field <superscript>1</superscript> H spin-lattice relaxation experiments led to the identification and microscopic rationalization of two distinct relaxation processes.<br />Competing Interests: The authors declare no competing financial interest.