TY  - JOUR
A1  - Kozlevcar, Bojan
A1  - Gamez, Patrick
A1  - de Gelder, Rene
A1  - Jaglicic, Zvonko
A1  - Strauch, Peter
A1  - Kitanovski, Nives
A1  - Reedijk, Jan
T1  - Counterion and solvent effects on the primary coordination sphere of copper(II) Bis(3,5-dimethylpyrazol-1-yl)acetic acid coordination compounds
JF  - European journal of inorganic chemistry : a journal of ChemPubSoc Europe
N2  - Four copper(II) coordination compounds with the neutral ligand bis(3,5-dimethylpyrazol-1-yl)acetic acid (Hbdmpza, C(12)H(16)N(4)O(2)) and its anionic form (bdmpza(-)), namely [Cu(Hbdmpza)(2)](HSO(4))(2) (1), [Cu(Hbdmpza)(2)]Cl(2) (2), [Cu(bdmpza)(2)](CH(3)COOH)(H(2)O) (3), and [Cu(bdmpza)(2)][Cu(2)(O(2)CCH(3))(4)] (4) have been synthesized starting from different metal salts. All the compounds have been fully characterized by physical and analytical methods. In addition, a single-crystal XRD analysis revealed the 3D structure of 1, which exhibits tridentate, vicinal N,N,O-coordination of two symmetry-related Hbdmpza ligands in an elongated octahedral arrangement with four equatorial nitrogen atoms and two axial oxygen atoms. The neutral carboxylic moiety acts as a hydrogen-bond donor to a HSO(4)(-) counterion. The two hydrogensulfates form a unique hydrogen-bonded pair (HSO(4)(-))(2) with very short O center dot center dot center dot O distances (2.59 angstrom) bridged between adjacent [Cu(HL)(2)](2+) coordination units. Also a short O center dot center dot center dot O contact (2.54 angstrom) is present between the C-OH and an 0 of a hydrogensulfate. A characteristic IR C=O vibration is observed at 1700 cm(-1) for 1 and 2, whereas the v(as)(O(2)C) vibration is present at 1650 cm(-1) for 3 and 4. These IR data strongly suggest the presence of Hbdmpza ligands in 1 and 2 and the deprotonated form bdmpza- in 3 and 4. A mononuclear coordination unit [CuL(2)], as proven for 1 by X-ray diffraction, is also proposed for the other compounds 2-4. In compound 4, an additional dinuclear [Cu(2)(O(2)CCH(3))(4)] neutral coordination unit is present, as deduced from the vibration bands v(as)(O(2)C) at 1600 cm(-1) and v(s)(O(2)C) at 1420 cm(-1), which are typical of a carboxylate function, and from the two-species analysis of the chi(M)T(T) curve of the magnetic susceptibility data (2J = -322 cm(-1)). Also, the EPR spectra recorded at different temperatures agree with this structure.
KW  - Copper
KW  - Coordination modes
KW  - Hydrogen bonds
KW  - Counterions
KW  - Solvent effects
Y1  - 2011
U6  - https://doi.org/10.1002/ejic.201100410
SN  - 1434-1948
IS  - 24
SP  - 3650
EP  - 3655
PB  - Wiley-Blackwell
CY  - Malden
ER  - 
TY  - JOUR
A1  - Vaskova, Zuzana
A1  - Kitanovski, Nives
A1  - Jaglicic, Zvonko
A1  - Strauch, Peter
A1  - Ruzickova, Zdenka
A1  - Valigura, Dusan
A1  - Koman, Marian
A1  - Kozlevcar, Bojan
A1  - Moncol, Jan
T1  - Synthesis and magneto-structural characterization of copper(II) nitrobenzoate complexes containing nicotinamide or methylnicotinamide ligands
JF  - Polyhedron : the international journal of inorganic and organometallic chemistry
N2  - Three new copper(II) 4-nitrobenzoato coordination compounds (4-NO(2)bz(-) = 4-nitrobenzoate anions) with N-methylnicotinamide (mna) [Cu(4-NO(2)bz)(2)(mna)(2)(H2O)] (1), [Cu(4-NO(2)bz)(2)(mu-mna)(H2O)](2) (2) and [Cu(mu-4-NO(2)bz)(2)(mna)](2) (3) were synthesized and characterized. Due to a comparison, additional two related compounds [Cu(3,5-(NO2)(2)bz)(2)(mna)(2)(H2O)] (4) (nia = nicotinamide, 3,5-(NO2)(2)bz(-) = 3,5-dinitrobenzoate anions) and [Cu(mu-2-NO(2)bz)(2)(mna)](2) (5) (2-NO(2)bz(-) = 2-nitrobenzoate anions) were isolated. The mononuclear compounds with mna 1 and nia 4 show CuO2N2O chromophores with the water molecule placed at the apex of the square pyramid. The square-pyramidal coordination sphere CuO3NO in 2 differs to CuO2N2O in 1 and 4. Differently, the water molecule is in 2 at the basal-plane, while two mna molecules serve also as bridges via N-py and 0-amido enabling a dinuclear molecular structure 1, 2 and 4 are paramagnetic though a dinuclear structure is seen in 2, while a clear-cut strong antiferromagnetic (AFM) coupling (2J -300 cm(-1)) is found for the compounds 3 and 5. (C) 2014 Elsevier Ltd. All rights reserved.
KW  - Copper(II)
KW  - Nicotinamide
KW  - N-methylnicotinamide
KW  - Crystal structure
KW  - Magnetic properties
Y1  - 2014
U6  - https://doi.org/10.1016/j.poly.2014.07.017
SN  - 0277-5387
VL  - 81
SP  - 555
EP  - 563
PB  - Elsevier
CY  - Oxford
ER  -