Translational dynamics of a non-degenerate molecular shuttle imbedded in a zirconium metal–organic framework
Benjamin H. Wilson, Louae M. Abdulla, Robert W. Schurko, Stephen J. Loeb
Abstract
An unsymmetrical molecular shuttle was incorporated into the octahedral cavities of a Zr(<sc>iv</sc>) MOF. <sup>13</sup>C SSNMR showed that the presence of mesitylene in the pores results in an increase in the barriers for the thermally driven motion of the macrocycle.
Topics & Concepts
MesityleneZirconiumOctahedronMolecular dynamicsTranslational motionDegenerate energy levelsCrystallographyIcosahedral symmetryMetal-organic frameworkChemistryMetalMaterials scienceStereochemistryComputational chemistryPhysical chemistryInorganic chemistryPhysicsBenzeneCrystal structureOrganic chemistryQuantum mechanicsAdsorptionClassical mechanicsMetal-Organic Frameworks: Synthesis and ApplicationsSupramolecular Chemistry and ComplexesMagnetism in coordination complexes