The quest for rationalizing the magnetism in purely organic semiquinone-bridged bisdithiazolyl molecular magnets-Reference-Cited by-同舟云学术

The quest for rationalizing the magnetism in purely organic semiquinone-bridged bisdithiazolyl molecular magnets

Published:2016 Issue:30 Volume:18 Page:20738-20749
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Fumanal Maria¹²³⁴⁵,Deumal Mercè¹²³⁴

Affiliation:

1. Departament de Ciència de Materials i Química Física and IQTCUB

2. Universitat de Barcelona

3. E-08028 Barcelona

4. Spain

5. Laboratoire de Chimie Quantique

Abstract

Rationalization of PhBBO becomes a proof-of-concept that DFT can fail to evaluate J_AB between purely organic radicals; instead, wavefunction-based methods are required.

Funder

Ministerio de Ciencia e Innovación

Universitat de Barcelona

Ministerio de Economía y Competitividad

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP02699K

Reference68 articles.

1. Semiquinone-Bridged Bisdithiazolyl Radicals as Neutral Radical Conductors

2. Magnetic Ordering and Anisotropy in Heavy Atom Radicals

3. The Metallic State in Neutral Radical Conductors: Dimensionality, Pressure and Multiple Orbital Effects

4. Resonance-Stabilized 1,2,3-Dithiazolo-1,2,3-dithiazolyls as Neutral π-Radical Conductors

5. Preparation and Solid State Characterization of Isostructural Bifunctional 1,2,3,5-Dithiadiazolyls with Benzene, Bithiophene, and Piperazine Spacers

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