Author, as appears in the article.: Simonov S, Zorina L, Wzietek P, Rodríguez-Fortea A, Canadell E, Mézière C, Bastien G, Lemouchi C, Garcia-Garibay MA, Batail P.
Department: Química Física i Inorgànica
URV's Author/s: Rodríguez Fortea, Antonio
Keywords: Spin-lattice relaxation Solid state nmr Self-assembly Rotors Rotational barriers Rotation barriers Molecular rotors Mechanism of rotation Dft calculations self-assembly rotational barriers molecular rotors mechanism of rotation dft calculations
Abstract: Here we present a study where what can be seen as a static modulation wave encompassing four successive arrays of interacting iodine atoms in crystalline 1,4-Bis((4'-(iodoethynyl)phenyl) ethynyl)bicyclo[2,2,2]octane rotors changes the structure from one-half molecule to three-and-a-half molecules in the asymmetric unit below a phase transition at 105 K. The remarkable finding is that the total 1H spin-lattice relaxation rate, T1-1, of unprecedented complexity to date in molecular rotors, is the weighted sum of the relaxation rates of the four contributing rotors relaxation rates, each with distinguishable exchange frequencies reflecting Arrhenius parameters with different activation barriers ( Ea) and attempt frequencies (?o-1). This allows us to show in tandem with rotor-environment interaction energy calculations how the dynamics of molecular rotors are able to decode structural information from their surroundings with remarkable nanoscale precision.
Thematic Areas: Química Physics, condensed matter Physics, applied Odontología Nanoscience and nanotechnology Nanoscience & nanotechnology Medicina iii Medicina ii Medicina i Mechanical engineering Materials science, multidisciplinary Materials science (miscellaneous) Materials science (all) Materiais Interdisciplinar General materials science General chemistry Ensino Engenharias iv Engenharias iii Engenharias ii Condensed matter physics Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências agrárias i Chemistry, physical Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Biotecnología Bioengineering Astronomia / física
licence for use: https://creativecommons.org/licenses/by/3.0/es/
ISSN: 15306984
Author's mail: antonio.rodriguezf@urv.cat
Author identifier: 0000-0001-5884-5629
Record's date: 2024-09-07
Papper version: info:eu-repo/semantics/acceptedVersion
Link to the original source: https://pubs.acs.org/doi/10.1021/acs.nanolett.8b00956
Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
Papper original source: Nano Letters. 18 (6): 3780-3784
APA: Simonov S, Zorina L, Wzietek P, Rodríguez-Fortea A, Canadell E, Mézière C, Bastien G, Lemouchi C, Garcia-Garibay MA, Batail P. (2018). Static Modulation Wave of Arrays of Halogen Interactions Transduced to a Hierarchy of Nanoscale Change Stimuli of Crystalline Rotors Dynamics. Nano Letters, 18(6), 3780-3784. DOI: 10.1021/acs.nanolett.8b00956
Article's DOI: 10.1021/acs.nanolett.8b00956
Entity: Universitat Rovira i Virgili
Journal publication year: 2018
Publication Type: Journal Publications
Repositori URV