Calix[n]arene-based polyradicals: enhancing ferromagnetism by avoiding edge effects-Reference-Cited by-同舟云学术

Calix[n]arene-based polyradicals: enhancing ferromagnetism by avoiding edge effects

Published:2017 Issue:35 Volume:19 Page:24264-24270
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Reta Daniel¹²³⁴⁵^ORCID,Moreira Ibério de P. R.¹²³⁴^ORCID,Illas Francesc¹²³⁴^ORCID

Affiliation:

1. Departament de Ciència de Materials i Química Física & Institut de Química Teòrica i Computacional (IQTCUB)

2. Universitat de Barcelona

3. 08028 Barcelona

4. Spain

5. School of Chemistry

Abstract

The absence of edges in circular structures derived from 1,3-arylmethyl polyradical results in realistic molecules showing largely stabilized high-spin ground states.

Funder

Generalitat de Catalunya

Ministerio de Economía y Competitividad

Horizon 2020 Framework Programme

Engineering and Physical Sciences Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP04145D

Reference73 articles.

1. AN INSTANCE OF TRIVALENT CARBON: TRIPHENYLMETHYL.

2. Some Studies in Molecular Orbital Theory I. Resonance Structures and Molecular Orbitals in Unsaturated Hydrocarbons

3. Multiplicity of the ground state of large alternant organic molecules with conjugated bonds

4. Effects of electron repulsion in conjugated hydrocarbon diradicals

5. Possible ?ferromagnetic states? of some hypothetical hydrocarbons

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