In the title complex, [Mn(C20H14N2O2)Cl]·CH3OH, the central Mn(III) atom displays a distorted square-pyramidal coordination by two N and two O atoms from the tetradentate 2,2'-[1,2-phenyl-enebis(nitrilo-methanylyl-idyne)]diphenolate ligand and one chloride ligand. The Mn(III) atom is 0.525 (4) Å out of the square basal N2O2 least-squares plane. The complex mol-ecule is hydrogen bonded to the me...

Lundberg, D., 2006, The Coordination Chemistry of Solvated Metal Ions in DMPU – A Study of a Space-Demanding Solvent. Doctor’s dissertation. ISSN 1652-6880, ISBN 91-576-7072-2 This thesis summarizes and discusses the results of several individual studies on the solvation of metal ions in the solvent N,N’-dimethylpropyleneurea, DMPU, including the iron(II), iron(III), zinc(II), cadmium(II), and ...

In title complex, [Co(C(28)H(22)N(2)O(2))(C(5)H(5)N)(2)]ClO(4)·1.5H(2)O, the Co(III) ion is in a slightly distorted octa-hedral coordination environment with the pyridine ligands in a trans arrangement. In addition to the cation and anion, the asymmetric unit also contains three half-occupancy solvent water mol-ecules and all components are connected via inter-molecular O-H⋯O hydrogen bonds.

In the title solvated salt, (C(10)H(10)NO)[SnCl(4)(C(9)H(6)NO)]·CH(3)CN, the Sn(IV) atom is chelated by the N,O-bidentate 8-hydroxy-quinolinate ligand and four chloride ions, generating a distorted SnONCl(4) octa-hedral coordination geometry for the metal. In the crystal, the cations are linked to the anions and the solvent mol-ecules by O-H⋯O and N-H⋯N hydrogen bonds, respectively.

The title compound, [Eu(III)(NO(3))(2)(C(24)H(28)Cl(2)N(6)O(2))]NO(3)·0.5CH(3)OH, is isostructural with the Gd(III) and Ho(III) complexes of the analogous macrocyclic ligand, with both Cl atoms replaced by methyl groups. The Eu atom exhibits a nine-coordinate distorted tricapped trigonal-prismatic coordination geometry. The methanol solvent mol-ecule is disordered about a twofold rotation axis ...

Reaction coordinates for chemical reactions in solution are often of a collective nature involving solvent degrees of freedom. A recent generalization of the blue-moon ensemble technique has enabled us to determine the free energy required to change these variables, using them as constraints in a molecular dynamics simulation. We discuss a Ðrst application to the free energy of coordination Ñuc...

Two unique 3D coordination polymers based on octahedral [Ln6] (Ln = Gd (), Dy ()) clusters as nodes were synthesized, exhibiting a novel (3,12)-connected topology with the symbol of (4(20)·6(26)·8(20))(4(3))4. The magnetic studies reveal that shows a -ΔSm = 46.6 J kg(-1) K(-1), falling among the largest values known to date, and displays slow magnetic relaxation behavior. Both and have high the...

In the title solvated mol-ecular salt, [CuCl(C(28)H(30)N(4))]ClO(4)·CH(3)OH, the Cu(2+) ion is coordinated by the N,N',N'',N'''-tetra-dentate ligand and a chloride ion, generating a very distorted square-based pyramidal CuN(4)Cl coordination geometry with the Cl(-) ion in the basal position. In the crystal, the solvent mol-ecules and anions are linked by weak O-H⋯O hydrogen bonding.

The coordination chemistry of a series of pro-ligands ([L¹]-[L⁶]) with cobalt and zinc derivatives has been studied. All complexes have been characterized by multinuclear NMR, elemental analysis, and by single-crystal X-ray diffraction studies. Polymerization of rac-lactide takes place at 130 °C in the presence of cobalt and zinc complexes to yield polymers under solvent free conditions with co...

The reactions of di-2-pyridyl ketone with Cu(O2CPh)2 in the presence of NaN3 and LiOH have led to an antiferromagnetically coupled (S = 0) Cu(II)6 cluster with a novel core and to (Cu(II)8)n and (Cu(II)2)n coordination polymers (the former 1D and the latter 2D) with interesting structures. The cluster or polymer formation depends on the reaction solvent.