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Shearing‐Like Distortion in Binuclear End‐to‐End Cu II Azido Compounds: An Ab Initio Study of the Magnetic Interactions (Eur. J. Inorg. Chem. 28/2007)
Author(s) -
Angels Carvajal Maria,
Aronica Christophe,
Luneau Dominique,
Robert Vincent
Publication year - 2007
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.200790071
Subject(s) - chemistry , shearing (physics) , ab initio , ab initio quantum chemistry methods , ferromagnetism , computational chemistry , condensed matter physics , crystallography , thermodynamics , physics , organic chemistry , molecule
The cover picture shows the shearing‐like distortion, which was found to play a dominant role in the control of magnetic properties of Cu II azido complexes. From ab initio calculations, it was demonstrated that the smaller the shearing amplitude, the larger the antiferromgnetic character. A practical route to enhance ferromagnetism is suggested in the light of this theoretical analysis. Details are discussed in the article by D. Luneau, V. Robert et al. on p. 4434 ff.