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Asymmetric Choreography in Pairs of Orthogonal Rotors.

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, 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.

SUBMITTER: Rodriguez-Fortea A

PROVIDER: S-EPMC5793037 | biostudies-literature | 2018 Jan

REPOSITORIES: biostudies-literature

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Asymmetric Choreography in Pairs of Orthogonal Rotors.

Rodríguez-Fortea Antonio A Kaleta Jiří J Mézière Cécile C Allain Magali M Canadell Enric E Wzietek Pawel P Michl Josef J Batail Patrick P

ACS omega 20180130 1

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 <s ...[more]

PMID: 29399655

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