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3727706 
Journal Article 
Structural, spectroscopic and magnetic properties of thiocyanate complexes of Mn(II), Ni(II) and Cu(II) with the 1-methylimidazole ligand 
Malecki, JG; Gron, T; Duda, H 
2012 
1 
Polyhedron
ISSN: 02775387 
36 
1 
56-68 
WOS:000302983900008 
New [M(SCN)(2)(L)(4)] complexes, where M = Mn(II), Ni(II),Cu(II)and L = 1-methylimidazole have been synthesized. The electronic structures of the complexes were calculated using the DFT method, and the descriptions of frontier molecular orbitals and the relocation of the electron density of the compounds were determined. The crystal field splitting, Racah repulsion and nephelauxetic parameters were determined from the electronic spectra of the complexes. The magnetic properties revealed almost ideal paramagnetism for all the complexes under study, evidenced by values close to zero for both the Curie-Weiss temperature and the imaginary part of the ac magnetic susceptibility. (c) 2012 Elsevier Ltd. All rights reserved. 
Manganese(II); Nickel(II); Copper(II); 1-Methylimidazole; X-ray structure; DFT calculations; Electronic structures; Luminescence; Magnetic properties