Diradicals

M Abe - Chemical Reviews, 2013 - ACS Publications
Open-shell molecules such as radicals, carbenes, and electronically excited-state molecules
exhibit high energies, and thus, in general, they are quite reactive. 1 The short-lived species …

Magnetic interactions in molecules and highly correlated materials: physical content, analytical derivation, and rigorous extraction of magnetic Hamiltonians

JP Malrieu, R Caballol, CJ Calzado, C De Graaf… - Chemical …, 2014 - ACS Publications
Magnetism is a phenomenon that has always captured the imagination of humans. Its
discovery in the western world is attributed to the ancient Greek civilization. More than 2500 …

[BOOK][B] Magnetism: Molecules IV

JS Miller, M Drillon - 2002 - Wiley Online Library
The development, characterization, and technological exploitation of new materials,
particularly as components in 'smart'systems, are key challenges for chemistry and physics …

Polymers for electronics and spintronics

P Bujak, I Kulszewicz-Bajer, M Zagorska… - Chemical Society …, 2013 - pubs.rsc.org
This critical review is devoted to semiconducting and high spin polymers which are of great
scientific interest in view of further development of the organic electronics and the emerging …

The chemistry of nitroxide radicals in the molecular design of magnets

EV Tretyakov, VI Ovcharenko - Russian Chemical Reviews, 2009 - iopscience.iop.org
The chemistry of nitroxide radicals in the molecular design of magnets - IOPscience This
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Redox states of long oligothiophenes: two polarons on a single chain

JAEH Van Haare, EE Havinga… - … A European Journal, 1998 - Wiley Online Library
Can two isolated radical cations (polarons) exist simultaneously on a π‐conjugated chain or
do they coalesce into a single, doubly charged spinless (bipolaron) deformation? This long …

Singlet biradical character of phenalenyl-based Kekulé hydrocarbon with naphthoquinoid structure

T Kubo, A Shimizu, M Uruichi, K Yakushi… - Organic …, 2007 - ACS Publications
A new Kekulé polycyclic hydrocarbon with a singlet biradical index of 50% was synthesized.
The singlet biradical character was assessed with UV and 1H-NMR spectroscopy, cyclic …

Phenylene Coupling of Methylene Sites. The Spin States of Bis(X−methylene)-p-phenylenes and Bis(chloromethylene)-m-phenylene

C Trindle, SN Datta, B Mallik - Journal of the American Chemical …, 1997 - ACS Publications
We judge the energetic sequence of spin states in substituted methylenes by ab initio
multiconfigurational computations and, where feasible, density functional modeling …

Recent progress in the development of organomagnetic materials based on neutral nitroxide radicals and charge transfer complexes derived from nitroxide radicals

H Anzai - Journal of Materials Chemistry, 1997 - pubs.rsc.org
Nitroxide radicals play a central role in the recent development of organomagnetic materials
or molecular-based magnetic materials. This feature article considers the recent progress in …

Ab initio calculations show why m-phenylene is not always a ferromagnetic coupler

S Fang, MS Lee, DA Hrovat… - Journal of the American …, 1995 - ACS Publications
In agreement with the experimental results of the groups of Rassat and Iwamura on
respectively m-phenylene bis (fert-butyl nitroxides) 2 and 3, ab initio calculations on m …