Computational Study of 13C NMR Chemical Shift Anisotropy Patterns in C20H10 and [C20H10]4–. Insights into Their Variation upon Planarization and Formation of Concentric Aromatic Species in the Smaller Isolated-Pentagon Structural Motif-Reference-Cited by-同舟云学术

Computational Study of 13C NMR Chemical Shift Anisotropy Patterns in C20H10 and [C20H10]4–. Insights into Their Variation upon Planarization and Formation of Concentric Aromatic Species in the Smaller Isolated-Pentagon Structural Motif

Published:2017-03-24 Issue:13 Volume:121 Page:2698-2703
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Muñoz-Castro Alvaro¹²^ORCID,Caimanque-Aguilar Wilson²,Morales-Verdejo Cesar³

Affiliation:

1. Grupo de Química Inorgánica y Materiales Moleculares, Universidad Autonoma de Chile, El Llano Subercaseaux 2801, Santiago, Chile

2. Doctorado en Fisicoquímica Molecular, Universidad Andres Bello, Av. Republica 275, 8370146 Santiago, Chile

3. Universidad Bernardo OHiggins, Laboratorio de Bionanotecnología, Departamento de Ciencias Quimicas y Biologicas, General Gana 1702, Santiago, Chile

Funder

Fondecyt

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.7b01477

Reference52 articles.

1. C60: Buckminsterfullerene

2. Isolation, separation and characterisation of the fullerenes C60 and C70: the third form of carbon

3. Role of four-membered rings in C32fullerene stability and mechanisms of generalized Stone-Wales transformation: a density functional theory investigation