The crystal structure and supramolecular chain of [La(NO3)(3)(OH2)(2)(phen)]center dot 15-crown-5

[La(NO3)(3)(OH2)(2)(phen)]. 15-crown-5 is hexagonal, P6(5), with a = 10.955(2), c = 43.769(9) Angstrom, and D-calc = 1.668 g cm(-3) for Z = 6. In the complex, two nitrogen atoms (from phen) and eight oxygen atoms (six from three bidentate nitrate anions and two from water molecules) are coordinated to the central La(III) ion, forming a coordination polyhedron which is approximately a bicapped square antiprism. The coordinated water molecules donate hydrogen bonds to the oxygen atoms of the crown ether, forming polymeric hydrogen bonded chains which wrap helically along the unit cell direction c.

STRUCTURE OF [LA(NO3)(3)(OH2)(2)(OHME)(BIPY)].15-CROWN-5

[La(NO3)(3)(OH2)(2)(OHMe)(bipy).15-crown-5 is monoclinic, P2(1)/n, with a = 11.239(6), b = 19.302(7), c = 14.458(8) Angstrom, beta = 92.47(5)degrees, and D-calc = 1.63 g cm(-3) for Z = 4. In the complex, two nitrogen atoms (from bipy) and nine oxygen atom

CRYSTAL-STRUCTURES OF LN(NO3)(3) (LN=EU,LU) COMPLEXES WITH A CROWN-ETHER (16-CROWN-5)

The crystal structures of Ln(NO3)(3)(Ln = Eu,Lu) complexes with 16-crown-5 are reported. In [Eu(NO3)(2)(CH3CN)(16-crown-5)][Eu(NO3)(4)(H2O)2].1/2(16-crown-5) one Eu-III ion is coordinated to two bidentate nitrate ions, one acetonitrile molecule and five o

CRYSTAL-STRUCTURE OF [YB (NO3)3 (PHEN) (H2O)]CENTER-DOT(12-CROWN-4)

The title complex was prepared by reacting Yb(NO3)3 (12-crown-4) with 1, 10-phenanthiroline (hereafter phen) in acetone. It crystallized in the triclinic space group P1BAR with a = 10.095(5), b = 17.415(4), c = 8.710(2) angstrom; alpha = 92.45(2), beta = 115.83(3), gamma = 74.08(3)degrees and D(c), = 1.85 g cm-3; Z = 2. The metal ion in this complex is nine-coordinated to three bidentate nitrate ions, two nitrogen atoms of a phen and a water molecule. The crown ligand is hydrogen bonded to the coordination water molecule. The symmetry change of the crown ether is also discussed.

Efeito da proporcao NH4+/NO3- na distribuicao de nitrato e na atividade in vitro da redutase do nitrato de plantas de Panicum maximum.

O objetivo deste trabalho foi estudar os efeitos da nutricao nitrica e amoniacal na distribuicao de nitrato e na atividade in vitro da redutase do nitrato em plantas de capim coloniao ( Panicum maximum Jacq.). as plantas receberam 7 mM de nitrogenio nas forma N- NH4 +, N-NO3- ou combinadas nas seguintes proporcoes 0/100, 25/75, 50/50, 75/25 e 100/0. A extracao enzigmatica foi feita em Tris-HCI 50mM pH 7,5, EDTA 0,5 mM e b-mercaptoetanol 10mM, e para o ensaio utilizou-se 200 mmoles de Tris-HCI pH 7,5, 20 mmoles KNO3, 0,1 mmol NADH e 0,1 mL de Triton X-100 1% no volume final de 2,0 mL. A concentracao de nitrato foi levemente superior na parte aerea quando as plantas receberam ambas as formas de nitrogenio, e na raiz seta decresceu com o aumento da proporcao de aminio. A atividade in vitro de redutase do nitrato so foi observada nas folhas e foi maior quando as plantas receberam ambas as formas de nitrogenio. Os resultados sugerem um efeito estimulador do amonio no tranporte de nitrato e na atividade de redutase do nitrato quando NO3- esta presente.

Assimilacao do nitrogenio pelas plantas de panicum maximum, cv. Vencedor, submetidas a diferentes proporcoes NH4+/NO3-.

Visando a elucidar alguns aspectos do metabolismo do nitrogenio por plantas de Panicum maximum, estudaram-se os efeitos da proporcao NH +4/NO-3 na variacao do pH das solucoes nutritivas de tratamento, no acumulo de materia seca e na distribuicaoo de nitrogenio na planta. Para tal, as plantas foram cultivadas em camara de crescimento na solucao nutritiva (pH 5,5) completa, contendo nitrogenio somente na forma nitrica. Aos 25 dias depois da germinacao, as plantas foram submetidas a 100 ppm de nitrogenio fornecido nas formas nitrica e amoniacal ou amonical, nas seguintes proporcoes 0/100,25/75,50/50,75/25 e 100/0, durante quatro dias. O pH das solucoes nutritivas foi medido e corrigido diariamente. Os resultados demostraram que o pH aumentou na presenca exclusiva de nitrato (pH 6,5) e decresceu na presenca exclusiva de amonio (pH 3,5). Na presenca de ambas as formas de nitrogenio, o pH permaneceu em torno de 5,0 nos dois primeiros dias entao diminui para cerca de 4,5 nos dias subsequentes. Esses resultados indicam que as plantas de Panicum maximum absorveram o nitrato, inicialmente, porem com o tempo adaptaram-se a presenca de amonio e tenderam a absorver ambas as formas. As plantas que receberam nitrato, combinados ou não com amonio, apresentaram o peso da materia seca, N-total e N-soluvel total superiores as que receberam somente amonio como fonte de N, havenso pequena tendencia de maior acumulo na presenca de ambas as fontes. No tratamento 100% de amonio, pN-total e o N-soluvel total diminuiram apreciavelmente, indicando baixa capacidade de essa especie utilizar amonio como fonte única de nitrogenio. Os resultados indicam que, embora as plantas possa absorver as duas formas de nitrogenio, a combinacao entre ambas parece ser a forma ideal para o crescimento das mesmas.

Efecto de la concentración de N-NO3- en la solución nutritiva sobre la cantidad y calidad de flores de un cultivo sin suelo de gerbera

En los sistemas de cultivo sin suelo la producción tiene lugar sobre un sustrato compuesto por un material o mezcla de materiales no edáficos, generalmente con baja o casi nula disponibilidad natural de nutrientes minerales, por lo que los mismos son agregados junto con el agua de riego. El manejo nutricional debe asegurar tanto la concentración individual como un balance adecuado entre ellos, en orden de obtener alta productividad y calidad, a la vez que un ajuste fino de la fertilización contribuye a reducir el impacto ambiental. Los objetivos de esta tesis fueron: 1º) evaluar los efectos de diferentes concentraciones de N-NO3- en la solución nutritiva sobre el rendimiento de un cultivo de Gerbera jamesonii Bolus para flor de corte, 2º) analizar si el índice de área foliar (IAF) y el contenido de clorofila están asociados con tales efectos, 3º) determinar si distintas dosis de N afectan la absorción y/o acumulación de otros nutrientes. Para ello se realizaron mediciones de producción (varas florales por unidad de superficie) y calidad de flor (longitud de vara, diámetro de capítulo y vida en florero), área foliar, contenido de clorofila y de nutrientes en hoja. Se determinó consumo de agua y nutrientes a través del seguimiento del agua de riego y de drenaje. Se realizaron mediciones con un radiómetro multiespectral para determinar correlaciones entre las variables ecofisiológicas medidas y el patrón de reflectancia del cultivo. Luego de un año de cultivo, se verificaron variaciones de IAF y clorofila y se encontraron diferencias significativas en cantidad y calidad de flores en momentos puntuales en relación con la dosis de N y con la radiación y temperatura, observándose en general mejores resultados de la dosis más alta en momentos de mayor radiación y temperatura, mientras que en épocas más frías no hubo diferencias o bien estas no fueron cuantitativamente importantes. También se encontró relación entre distintas dosis de N y acumulación de P, K, Ca y Mg en hoja. La construcción de modelos a partir de sensores remotos de reflectancia permitió estimar el contenido de clorofila, de nitrógeno y el IAF. Es necesaria la validación de los mismos para poder utilizarlos como herramienta de manejo. Se concluye que un manejo nutricional óptimo debería modificar la concentración de nutrientes teniendo en cuenta las condiciones ambientales

Interactions of 1-Methylimidazole with UO2(CH3CO2)2 and UO2(NO3)2: Structural, Spectroscopic and Theoretical Evidence for Imidazole Binding to the Uranyl Ion

The first definitive high-resolution single-crystal X-ray structure for the coordination of the 1-methylimidazole (Meimid) ligand to UO2(Ac)2 (Ac = CH3CO2) is reported. The crystal structure evidence is confirmed by IR, Raman, and UV-vis spectroscopic data. Direct participation of the nitrogen atom of the Meimid ligand in binding to the uranium center is confirmed. Structural analysis at the DFT (B3LYP) level of theory showed a conformational difference of the Meimid ligand in the free gas-phase complex versus the solid state due to small energetic differences and crystal packing effects. Energetic analysis at the MP2 level in the gas phase supported stronger Meimid binding over H2O binding to both UO2(Ac)2 and UO2(NO3)2. In addition, self-consistent reaction field COSMO calculations were used to assess the aqueous phase energetics of combination and displacement reactions involving H2O and Meimid ligands to UO2R2 (R = Ac, NO3). For both UO2(NO3)2 and UO2(Ac)2, the displacement of H2O by Meimid was predicted to be energetically favorable, consistent with experimental results that suggest Meimid may bind uranyl at physiological pH. Also, log(Knitrate/KAc) calculations supported experimental evidence that the binding stoichiometry of the Meimid ligand is dependent upon the nature of the reactant uranyl complex. These results clearly demonstrate that imidazole binds to uranyl and suggest that binding of histidine residues to uranyl could occur under normal biological conditions.

A structural and electrochemical investigation of 1-alkyl-3-methylimidazollum salts of the nitratodioxouranate(VI) anions [{UO2(NO3)(2)}(2)(mu(4)-C2O4)](2-), [UO2(NO3)(3)](-), and [UO2(NO3)(4)](2-)

The properties of the 1-butyl-3-methylimidazolium salt of the dinuclear mu(4)-(O,O,O',O'-ethane-1,2-dioato)bis[bis-(nitrato-O,O)dioxouranate(VI)] anion have been investigated using electrochemistry, single-crystal X-ray crystallography, and extended X-ray absorbance fine structure spectroscopy: the anion structures from these last two techniques are in excellent agreement with each other. Electrochemical reduction of the complex leads to the a two-electron metal-centered reduction of U(VI) to U(IV), and the production Of UO2, or a complex containing UO2. Under normal conditions, this leads to the coating of the electrode with a passivating film. The presence of volatile organic compounds in the ionic liquids 1-alkyl-3-methylimidazolium nitrate (where the 1-alkyl chain was methyl, ethyl, propyl, butyl, pentyl, hexyl, dodecyl, hexadecyl, or octadecyl) during the oxidative dissolution of uranium(IV) oxide led to the formation of a yellow precipitate. To understand the effect of the cation upon the composition and structure of the precipitates, 1-alkyl-3-methylimidazolium salts of a number of nitratodioxouranate(VI) complexes were synthesized and then analyzed using X-ray crystallography. It was demonstrated that the length of the 1-alkyl chain played an important role, not only in the composition of the complex salt, but also in the synthesis of dinuclear anions containing the bridging mu(4)-(O,O,O',O'-ethane-1,2-dioato), or oxalato, ligand, by protecting it from further oxidation.

An EXAFS, X-ray diffraction, and electrochemical investigation of 1-alkyl-3-methylimidazolium salts of [{UO2(NO3)(2)}(2)(mu(4)-C2O4)](2-)

The structure of the 1-alkyl-3-methylimidazolium salts of the dinuclear mu(4)-(O,O,O',O'-ethane-1,2-dioato)-bis[bis(nitrato-O,O)dioxouranate(VI)] anion have been investigated using single crystal X-ray crystallography. In addition, EXAFS and electrochemical studies have been performed on the [C(4)mim](+) salt which is formed following the oxidative dissolution of uranium(IV) oxide in [C(4)mim][NO3]. EXAFS analysis of the solution following UO2 dissolution indicates a mixture of uranyl nitrate and mu(4)-(O,O,O',O'-ethane-1,2-dioato)-bis[bis(nitrato-O,O)dioxouranate(VI)] anions are formed.

Mono- and dimethyl-1,2,4-triazolate as ligands for the mercuric ion in the cationic three-dimensional coordination polymer of [Hg-2(Mmt)(Dmt)(2)](NO3)(H2O))

Colourless crystals of [Hg-2(Mmt)(Dmt)(2)](NO3)(H2O) were obtained from a reaction of mercuric nitrate with nionomethyl- and dimethyl-1,2.4-triazolate (Mmt(-) and Dmt(-), respectively). In the crystal structure (monoclinic, C2/c (no. 15), a = 2579.4(4) b = 1231.1(2), c = 1634.8(2) pm, beta = 128.32(1)degrees V = 4073.3(11).10(6).pm(3): Z = 8, R-1 [I-0 > 2 sigma(I-0)]: 0.0355), half of the mercuric ions are essentially two-coordinate (Hg-N: 210-215 pm), the other half are tetrahedrally surrounded by N-donor atoms (Hg-N: 221, 225 pm) of the Mmt(-) and Dmt(-) anions. These three-N ligands construct a three-dimensional framework.

3,5-dimethyl-4-amino-1,2,4-triazole (Dat) as a tridentate ligand in the polymeric cations of [Ag-3(Dat)(2)](NO3)(3)

Colourless single crystals of [Ag-3(Dat)(2)](NO3)(3) were obtained from a reaction of silver(l) nitrate and 3,5-dimethyl-4-amino-1,2,4-triazole (Dat). In the crystal structure (orthorhombic, Fdd2, Z = 8, a = 1100.1(2), b = 3500.3(2), c = 1015.4(3) pm, R, = 0.0434) there are two crystallographically non-equivalent silver sites in a one (Ag1) to two ratio (Ag2). Both resemble linear N-Ag-N coordination although angles are 163 degrees and 144 degrees, respectively Each Dat ligand coordinates with the two ring nitrogen atoms at 216 to 219 pm and with one amino-nitrogen atom at 229 pro. According to the composition [Ag-3(Dat)(2)](3+) = [(Dat)Ag-3/2](3+), a polymeric structure is built with all Ag+ ions bridging.