Factors governing hydration, regioselectivity and conformational choice in hydrated carbohydrates have been examined by determining and reviewing the structures of a systematically varied set of singly and multiply hydrated monosaccharide complexes in the gas phase. This has been achieved through a combination of experiments, including infrared ion-depletion spectroscopy conducted in a superson...

The formation of discrete complexes [M(mcoe)2S2] (M = Cu, Ni; S = MeOH, H2O) vs. a nitroso-bridged ferromagnetically-coupled Cu(II) coordination polymer [Cu(mcoe)2] is influenced by the use of solvothermal reaction conditions.

The photo physical properties of two mononuclear pentacoordinated copper(II) complexes formulated as [Cu(L)(Cl)(H2O)] (1) and [Cu(L)(Br)(H2O)] (2) HL = (1-[(3-methyl-pyridine-2-ylimino)-methyl]-naphthalen-2-ol) were synthesized and characterized by elemental, physicochemical, and spectroscopic methods. The density function theory calculations are used to investigate the electronic structures an...

Two dinuclear [Ni2L2(o-(NO2)C6H4COO)2(H2O)] (1), [Ni2L2(p-(NO2)C6H4COO)2(H2O)]·0.5CH3OH (2) complexes and one trinuclear [Ni3L2(p-(NO2)C6H4COO)4]·C2H5OH (3) Ni(II) complex have been synthesized using a tridentate Schiff base ligand, 1-[(3-dimethylamino-propylimino)-methyl]-naphthalen-2-ol (HL) along with ortho- and para-nitro benzoate as co-ligands. All these three (1-3) complexes have been cha...

The pKa of the aqua ligand in complexes of the type trans-[Pt(NH3)2(L)(H2O)] depends on the nature of the ligand trans to H2O, as expected. With L = NH3 or NH2R and n = 2, the pKa is around 6.0 – 6.4. With L = N-heterocyclic ligands generally higher acidities of the aqua ligands are observed, with pKa values being in the range of 4.7 – 5.4. These values are between those for L = H2O, n = 2 (4.4...

Utilizing a SHG inactive ligand, 2-thiobarbituric acid (H3L), three metal complexes formulated as M(H2L)2(H2O)2·2DMF (M = Mg 1 and Ni 2) and Co(H2L)2(H2O)2 (3) were synthesized and structurally characterized by single-crystal X-ray diffractions. Complexes 1 and 2 exhibit a similar uninodal 3D acentric diamondoid framework. Complex 1 displays SHG response using 1064 nm radiation, whereas complex...

The potential utility of paramagnetic transition metal complexes as chemical shift 19F magnetic resonance (MR) thermometers is demonstrated. Further, spin-crossover FeII complexes are shown to provide much higher temperature sensitivity than do the high-spin analogues, owing to the variation of spin state with temperature in the former complexes. This approach is illustrated through a series of...

The potential utility of paramagnetic transition metal complexes as chemical shift F magnetic resonance (MR) thermometers is demonstrated. Further, spin-crossover Fe complexes are shown to provide much higher temperature sensitivity than do the high-spin analogues, owing to the variation of spin state with temperature in the former complexes. This approach is illustrated through a series of Fe ...

The chiral macrocyclic amines R-L and S-L derived from the 3 + 3 condensation of 2,6-diformylpyridine and (1R,2R)-1,2-diaminocyclohexane or (1S,2S)-1,2-diaminocyclohexane form enantiopure trinuclear Ni(ii) and Cu(ii) complexes [Ni3(L)(H2O)2Cl5]Cl and [Cu3(L)Cl4]Cl2 and form the dinuclear complex [Zn2(L)Cl2](ZnCl4) with Zn(ii). The X-ray crystal structures of these complexes indicate remarkably ...