Two new Ni(II) complexes involving the ancillary ligand bis[(pyridin-2-yl)methyl]amine (bpma) and two different carboxylate ligands, i.e. homophthalate [hph; systematic name: 2-(2-carboxylatophenyl)acetate] and benzene-1,2,4,5-tetracarboxylate (btc), namely catena-poly[[aqua{bis[(pyridin-2-yl)methyl]amine-κ(3)N,N',N''}nickel(II)]-μ-2-(2-carboxylatophenyl)aceteto-κ(2)O:O'], [Ni(C9H6O4)(C12H13N3)...

Reaction of Co(NCS)2 with 4-(hydroxymethyl)pyridine (hmpy) leads to the formation of six new coordination compounds with the composition [Co(NCS)2(hmpy))4] (1), [Co(NCS)2(hmpy)4] ˆ H2O (1-H2O), [Co(NCS)2(hmpy)2(EtOH)2] (2), [Co(NCS)2(hmpy)2(H2O)2] (3), [Co(NCS)2(hmpy)2]n ̈4 H2O (4) and [Co(NCS)2(hmpy)2]n (5). They were characterized by single crystal and powder X-ray diffraction experiments, the...

Five new complexes Ln(Q(C17))3(H2O)(Solv) (Ln = Y, Solv = H2O, Ln = Tb, Dy, Sm or Eu, Solv = EtOH) were synthesized with the acylpyrazolonato ligand Q(C17) bearing a long aliphatic C17H35 chain in the acyl moiety, and the crystal structure of Y(Q(C17))3(H2O)2 shows the three aliphatic chains from the coordinated ligands positioned in the same direction, affording plane layers built by Y(Q(C17))...

Using the half-sandwich tricyanometalate, KCpCo(CN)3 (1, Cp = cyclopentadienyl), as the building block, two new cyano-bridged heterobimetallic complexes, [{CpCo(CN)3}2M(H2O)2] Æ 2H2O (M = Fe , 2; Co, 3), have been synthesized and structurally characterized. Complexes 2 and 3 are isostructural. In each complex, [CpCo(CN)3] acts as a bis-monodentate bridging ligand toward the central [M(H2O)2] 2+...

In the present work, the sensitivity to the moisture (hygroscopisity) is studied for 3,4-dinitropyrazole (DNP) as a famous energetic molecule. All of the DNP-H2O complex systems (1-3) as well as individual molecules were optimized and bond lengths, bond angles, dihedral angles, charge transfer and stability via NBO analysis, corrected interaction energies with ZPE + BSSE and hydrogen bonds anal...

The objective of the study was to synthesize and to uncover the potentially interesting biological peripheral and central analgesic activities of some new divalent metal complexes of tolfenamic acid. The inception of the study was carried out with the formation of complexes [Cu(tolf)2(H2O)]2, [Co(tolf)2(H2O)2] and [Zn(tolf)2(H2O)] through the reaction of tolfenamic acid, a potent anti-inflammat...

One Mn(II) coordination polymer, [Mn(o-(NO2)C6H4COO)2(pyz)(H2O)]n (1), has been synthesized and oxidized with n-Bu4NMnO4 in non-aqueous media to two mixed-valence hexanuclear Mn(II/III) complexes [MnIII2MnII4O2(pyz)0.61/(MeOH)0.39(o-(NO2)C6H4COO)10·(H2O)·{(CH3)2CO}2]·(CH3)2CO (2) and [MnIII2MnII4O2(pyz)0.28/(MeCN)3.72(o-(NO2)C6H4COO)10·(H2O)] (3) (where pyz = pyrazine). All three complexes were...

The objective of the study was to assess the effects of Na[V(V)O(O2)2(2,2'-bpy)] x 8 H2O (complex 1), Na[V(V)O(O2)2(1,10'-phen)] x 5 H2O (complex 2), Na[V(V)O(O2)2(4,4'-Me-2,2'-bpy)] x 8 H2O (complex 3), [V(V)O(SO,)(1,10'-phen)] x 2 H2O, (complex 4), [V(IV)O(SO4)(2,2'-bpy)] x H2O (complex 5), where: 2,2'-bpy = 2,2'-bipyridine, 1.10'-phen = 1,10'-phenanthroline, 4,4'-Me-2,2'-bpy = 4,4'-dimethyl-...

Ab initio and atoms in molecules (AIM) theoretical studies have been used to show that in a 1:1 complex formed between CH4 and H2O, CH4 acting as a hydrogen bond acceptor leads to the global minimum structure. There is a bond path connecting C to the H of H2O revealing a penta-coordinate carbon that could be the precursor to the CH5 . It appears to be a general feature in CH4 HX complexes (X = ...

The 4f-3d heterometallic complexes [Nd(L)3(H2O)2]2(ZnCl4)3n • 4nH2O (1) (L = isonicotinic acid) and [Sm(L')3(H2O)2]2(ZnCl4)n • 2nH2O (2) (L' = nicotinic acid) have been obtained by hydrothermal reactions and structurally characterized by X-ray single-crystal diffractions. Both complexes feature an infinite 1-D polycationic chain-like structure. Photoluminescent investigations reveal that both c...