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Kitanovski, N., Borsan, N., Kasunic, M., Francetic, V., Popovic, J., Djerdj, I., Rocquefelte, X., Reedijk, J. & Kozlevcar, B. (2014) Chromium coordination compounds with bis(3,5-dimethylpyrazol-1-yl) acetic acid or its anion. Polyhedron, 70 119–124. 
Added by: Florent Boucher (2016-04-29 09:26:44)
Type de référence: Article
DOI: 10.1016/j.poly.2013.12.029
Numéro d'identification (ISBN etc.): 0277-5387
Clé BibTeX: Kitanovski2014
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Catégories: MIOPS
Mots-clés: bdmpza, catalysis, Chromium(III), complexes, Crystal structures, crystal-structure, enzymes, heteroscorpionate ligands, iron(ii), models, molecules, Pyrazole, spectroscopy, systems, zinc
Créateurs: Borsan, Djerdj, Francetic, Kasunic, Kitanovski, Kozlevcar, Popovic, Reedijk, Rocquefelte
Collection: Polyhedron
Consultations : 9/356
Indice de consultation : 1%
Indice de popularité : 0.25%
Résumé     
Two chromium(III) coordination compounds synthesized from a solution of the tridentate (NON) ligand bis(3,5-dimethylpyrazol-1-yl)acetic acid (HL' Hbdrnpza), namely [Cr(L)(2)](H(NO3)2) (1) and [Cr(HL)CI3] (2), are reported. The centrosymmetric central coordination sphere in compound I is fulfilled by two deprotonated ligands L- giving sterically closed coordination shell with pink-orange colored CrO2N4 chromophore. The coordination cation is accompanied by the dinitratohydrogenate(1-) counter anion. Contrary to compound 1, the compound 2 shows only one Hbdmpza ligand, which is protonated HI, though with the same three coordinate N,O,N atoms. Both title compounds 1 and 2 were isolated from the acetonitrile solution with the starting counter-anion remaining in the final product as a new counter anion H(NO3)(2-) in 1, or the coordinated chloride anions in 2 with green colored CrON2Cl3 chromophore. We were able to isolate the single crystals of I, while only polycrystalline material for 2. Nevertheless, the crystal structure of 2 containing two octahedral coordination molecules in the asymmetric unit was determined via the combination of DFF calculations and the powder XRD analysis. Though both compounds reveal a mononuclear octahedral coordination motif, the catalytic accessibility of the compound 2, due to only one tridentate ligand L (HL) per one Cr(III) centre clearly promises more to this aspect. (C) 2014 Elsevier Ltd. All rights reserved.
Added by: Florent Boucher  
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