The pseudo-π model of the induced magnetic field: fast and accurate visualization of shielding and deshielding cones in planar conjugated hydrocarbons and spherical fullerenes-Reference-Cited by-同舟云学术

The pseudo-π model of the induced magnetic field: fast and accurate visualization of shielding and deshielding cones in planar conjugated hydrocarbons and spherical fullerenes

Published:2019 Issue:11 Volume:21 Page:6150-6159
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Charistos Nickolas D.¹²³⁴⁵^ORCID,Muñoz-Castro Alvaro⁶⁷⁸⁹¹⁰^ORCID,Sigalas Michael P.¹²³⁴⁵^ORCID

Affiliation:

1. Laboratory of Quantum and Computational Chemistry

2. Department of Chemistry

3. Aristotle University of Thessaloniki

4. Thessaloniki

5. Greece

6. Laboratorio de Química Inorgánica y Materiales Moleculares

7. Facultad de Ingeniería

8. Universidad Autonoma de Chile

9. Santiago

10. Chile

Abstract

Hydrogen skeletal models accurately reproduce the π-induced magnetic field of planar PAHs and spherical fullerenes.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP00836E

Reference53 articles.

1. Magnetic criteria of aromaticity

2. The Magnetic Shielding Function of Molecules and Pi-Electron Delocalization

3. Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion

4. Aromaticity and Ring Currents

5. Ring currents

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