Cl@Si20X20 cages: evaluation of encapsulation nature, structural rigidity, and 29Si-NMR patterns using relativistic DFT calculations-Reference-Cited by-同舟云学术

Cl@Si₂₀X₂₀ cages: evaluation of encapsulation nature, structural rigidity, and ²⁹Si-NMR patterns using relativistic DFT calculations

Published:2023 Issue:29 Volume:25 Page:19845-19852
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

MacLeod-Carey Desmond¹^ORCID,Rodríguez-Kessler Peter L.²,Muñoz-Castro Alvaro³^ORCID

Affiliation:

1. Laboratorio de Química Inorgánica y Materiales Moleculares, Facultad de Ingenieria, Universidad Autónoma de Chile, Llano Subercaceaux 2801, San Miguel, Santiago, Chile

2. Centro de Investigaciones en Óptica A.C. (CIO), Loma del Bosque 115, Col. Lomas del Campestre, León, Guanajuato, 37150, Mexico

3. Facultad de Ingeniería, Arquitectura y Diseño, Universidad San Sebastián, Bellavista 7, Santiago, 8420524, Chile

Abstract

Molecular scale Roman dodecahedrons as anion cages. The nature of the interaction and 29Si-NMR-properties reveal the tailorable capabilities of the Si20 towards further modification as three-dimensional hosts.

Funder

Fondo Nacional de Desarrollo Científico y Tecnológico

Sistema Nacional de Investigadores

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP02371K

Reference84 articles.

1. C60: Buckminsterfullerene

2. Solid C60: a new form of carbon