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Nikitin K, Ortin Y, McGlinchey MJ. Dynamics of a Molecular Rotor Exhibiting Local Directional Rotational Preference within Each Enantiomer. J Phys Chem A. 2021;125(10):2061-2068doi: 10.1021/acs.jpca.0c08476.
Nikitin, K., Ortin, Y., & McGlinchey, M. J. (2021). Dynamics of a Molecular Rotor Exhibiting Local Directional Rotational Preference within Each Enantiomer. The journal of physical chemistry. A, 125(10), 2061-2068. https://doi.org/10.1021/acs.jpca.0c08476
Nikitin, Kirill, et al. "Dynamics of a Molecular Rotor Exhibiting Local Directional Rotational Preference within Each Enantiomer." The journal of physical chemistry. A vol. 125,10 (2021): 2061-2068. doi: https://doi.org/10.1021/acs.jpca.0c08476
Nikitin K, Ortin Y, McGlinchey MJ. Dynamics of a Molecular Rotor Exhibiting Local Directional Rotational Preference within Each Enantiomer. J Phys Chem A. 2021 Mar 18;125(10):2061-2068. doi: 10.1021/acs.jpca.0c08476. Epub 2021 Mar 05. PMID: 33666434; PMCID: PMC8154598.
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J Phys Chem A. 2021 Mar 18;125(10):2061-2068. doi: 10.1021/acs.jpca.0c08476. Epub 2021 Mar 05.

Dynamics of a Molecular Rotor Exhibiting Local Directional Rotational Preference within Each Enantiomer.

The journal of physical chemistry. A

Kirill Nikitin, Yannick Ortin, Michael J McGlinchey

Affiliations

  1. School of Chemistry, University College Dublin, Belfield, Dublin 4, Ireland.

PMID: 33666434 PMCID: PMC8154598 DOI: 10.1021/acs.jpca.0c08476

Abstract

Directional internal rotation in molecular systems, generally controlled by chirality, is known to occur in natural and artificial systems driven by light or fueled chemically, but spontaneous directional molecular rotation is believed to be forbidden. We have designed a molecular rotor, whereby ferrocene and triptycene linked by a methylene bridge provide two rotational degrees of freedom. On the basis of experimental observations, in conjunction with computational data, we show that the two different modes of rotation are strongly coupled and the spatial orientation of the bistable ferrocene moiety controls the barrier to its own rotation about the triptycene axis. It is proposed that the barrier to clockwise 120° rotation across each individual triptycene blade is lower in the

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