Asymmetric choreography in pairs of orthogonal rotors

Antonio Rodríguez-Fortea, Jirí Kaleta, Cećile Meziere, Magali Allain, Enric Canadell, Pawel Wzietek, Josef Michl, Patrick Batail

    Research output: Contribution to journalArticleResearchpeer-review

    12 Citations (Scopus)


    © 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.
    Original languageEnglish
    Pages (from-to)1293-1297
    JournalACS omega
    Issue number1
    Publication statusPublished - 1 Jan 2018


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