Articles producció científicaQuímica Física i Inorgànica

Gearing motion in cogwheel pairs of molecular rotors: Weak-coupling limit

  • Identification data

    Identifier:  PC:1581
    Handle: https://hdl.handle.net/20.500.11797/PC1581
    Authors:  Antonio Rodríguez-Fortea; Jiří Kaleta; Josef Michl; Cécile Mézière; Sergey Simonov; Leokadiya Zorina; Pawel Wzietek; Enric Canadell; Patrick Batail
    Abstract:
    Variable-temperature (VT) crystal structures, VT 1H spin-lattice relaxation in static crystals, and DFT modelling of the rotational barriers of BCP rotators in crystalline arrays of a rod-like molecule containing two 1,3-bis(ethynyl)bicyclo[1.1.1]pentane (BCP) units demonstrate that a correlated gearing motion occurs in the limit of a weak coupling between two rotors in a pair.

  • Others:

    Link to the original source: https://pubs.rsc.org/en/content/articlelanding/2015/ce/c5ce01372k#!divAbstract
    Article's DOI: 10.1039/c5ce01372k
    Journal publication year: 2015
    Entity: Universitat Rovira i Virgili
    Paper version: info:eu-repo/semantics/publishedVersion
    Record's date: 2016-06-01
    First page: 7829
    URV's Author/s: RODRÍGUEZ FORTEA, ANTONIO; Jiří Kaleta; Josef Michl; Cécile Mézière; Sergey Simonov; Leokadiya Zorina; Pawel Wzietek; Enric Canadell; Patrick Batail
    Department: Química Física i Inorgànica
    Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
    Publication Type: Article
    Last page: 7834
    ISSN: 1466-8033
    Author, as appears in the article.: Antonio Rodríguez-Fortea; Jiří Kaleta; Josef Michl; Cécile Mézière; Sergey Simonov; Leokadiya Zorina; Pawel Wzietek; Enric Canadell; Patrick Batail
    licence for use: https://creativecommons.org/licenses/by/3.0/es/
    Journal volume: 17
    Research group: Química Quàntica
    Thematic Areas: Chemistry