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American Chemical Society, The Journal of Physical Chemistry A, 33(112), p. 7734-7738, 2008

DOI: 10.1021/jp801987d

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Theoretical study of the stable radicals galvinoxyl, azagalvinoxyl and Wurster's blue perchlorate in the solid state

Journal article published in 2008 by Remco W. A. Havenith, Gilles A. de Wijs, Gilles A. de Wijs, Jisk J. Attema ORCID, P. N. L. C. M. Niermann, Natascha Niermann, Robert A. de Groot, Sylvia Speller, Robert A. de Groot
This paper is available in a repository.
This paper is available in a repository.

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Abstract

Calculations on crystalline organic radicals were performed to establish the ground states of these materials. These calculations show that the radicals may interact, depending on their orientation in the crystal structure. For galvinxoyl, a second structure is proposed which is similar to that of azagalvinoxyl, in which the radicals form pairs. This structure accounts for the anomalous magnetic properties of galvinoxyl at low temperatures.