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Badania potencjometryczne, ESI-MS i NMR nad kompleksowaniem magnezu(II) i wapnia(II) wybranymi kwasami bisfosfonowymi w roztworze wodnym

Szpak M., Matczak-Jon E., Kurzak B.

Chemik

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2014

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Vol. 68, nr 4

321--328

PL

Przeprowadzono badania nad równowagami w roztworze układów Mg(II)/Ca(II)-L (L= kwas (cykloheksylo)aminometano-1,1-difosfonowy (1), kwas azepan-1-ylo-metano-1,1-difosfonowy (2), kwas azekan-1-ylo-metano-1,1-difosfonowy (3)) metodami pH-potencjometrii, NMR i ESI-MS. Uzyskane wyniki wskazują, że we wszystkich badanych układach preferowane jest tworzenie kompleksów jednordzeniowych o stechiometrii 1:1. Rozpatrywane związki wiążą koordynacyjnie Mg(II) i Ca(II) poprzez atomy tlenu grup fosfonianowych w szerokim zakresie wartości pH.

EN

Solution equilibrium studies on the Mg(II)/Ca(II)-L systems (L= (cyclohexyl)aminomethane-1,1-diphosphonic acid (1), azepan-1-yl-methane-1,1-diphosphonic acid (2), azecan-1-yl-methane-1,1-diphosphonic acid (3) have been performed by pH-potentiometry, NMR and ESI-MS methods. The obtained results suggest preference for the formation of mononuclear complexes of 1:1 stoichiometry in all studied systems. Compounds under consideration coordinate Mg(II) and Ca(II) through oxygen atoms of the phosphonate groups over a broad pH range.

2

Crystal structure and spectroscopic properties of 4-acetaminopyridine and its protonated form

Koleva B.B., Nikolova R., Tchapkanov A., Kolev T., Mayer-Figge H., Spiteller M., Sheldrick W.S.

Polish Journal of Chemical Technology

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2009

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Vol. 11, nr 3

35-40

EN

4-Acetaminopyridine dihydrate and its protonated form, stabilized as the hydrochloride salt have been synthesized and spectroscopic elucidated in solution and in the solid-state by means of the inear-polarized solid state IR-spectroscopy (IR-LD), UV-spectroscopy, TGA, DSC, and the positive and negative ESI MS. Quantum chemical calculations were used to obtain the electronic structure, vibrational data and the electronic spectra. The spectroscopic and theoretical data are compared with the structure of the first compound obtained by single crystal X-ray diffraction. The effect of Npy protonation on the optical and magnetic properties of a 4-acetaminopyridine is discussed.

3

Structural Elucidation, Optical and Magnetic Properties of Tetraphenylborate Salt of 2,5-[1-Methyl-4-[2-(4-hydroxyphenyl)ethenyl)]pyridinium]-butane

Stoyanov S., Koleva B. B., Kolev T., Petkov I., Spiteller M.

Polish Journal of Chemistry

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2008

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Vol. 82, nr 11

2167-2178

EN

Structure, magnetic and optical properties of tetraphenylborate salt of 2,5-[1-methyl-4-[2-(4-hydroxyphenyl)ethenyl)]pyridinium]-hexane were performed for condensed phase by means of solution and solid-state conventional and linear-polarized IR-spectroscopy of oriented colloids in nematic host, UV-Vis and fluorescence methods, HPLC MS-MS tandem and ESI mass spectrometry, 1H-, 13C- and 1H-1H COSY NMR, TGV and DSC methods. Electronic structure and vibrational analysis were carried out by quantum chemical calculations at two levels of theory second-order Moller-Plesset perturbation theory (MP2) and density functional theory (DFT) using 6-31G* basis set. B3LYP method, which combines Becke's three-parameter non-local exchange functional with the correlation function of Lee, Yang and Parr, was applied.

4

Synthesis and Determination of Alkali Metal Binding Selectivities of Chiral Macrocyclic Bissulfonamides Derived from D-Mannitol and L-Threitol

Gruza M., Pokrop A., Jurczak J.

Polish Journal of Chemistry

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2005

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Vol. 79 / nr 2

223-230

EN

Four chiral macrocyclic bissulfonamides derived from D-mannitol and L-threitol, possessing C2 symmetry, were obtained by a macrocyclization reaction under high-dilution conditions. Their applications for alkali metal binding processes were studied using ESI-MS technique.