Cl@Si<sub>20</sub>X<sub>20</sub> cages: evaluation of encapsulation nature, structural rigidity, and <sup>29</sup>Si-NMR patterns using relativistic DFT calculations
Desmond MacLeod‐Carey, Peter L. Rodríguez‐Kessler, Alvaro Muñoz‐Castro
Abstract
Molecular scale Roman dodecahedrons as anion cages. The nature of the interaction and 29 Si-NMR-properties reveal the tailorable capabilities of the Si 20 towards further modification as three-dimensional hosts.
Topics & Concepts
Rigidity (electromagnetism)Materials scienceEncapsulation (networking)ChemistryCrystallographyPhysical chemistryComputer scienceComposite materialComputer networkAdvanced NMR Techniques and ApplicationsSolid-state spectroscopy and crystallographyInorganic Fluorides and Related Compounds