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  • Electronic Resource  (13)
  • Theoretical, Physical and Computational Chemistry  (5)
  • Inorganic Chemistry  (4)
  • 31.20.Sy  (2)
  • Asparagus  (2)
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  • Electronic Resource  (13)
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  • 1
    Electronic Resource
    Electronic Resource
    Mineral content modifications during ripening of asparagus (Asparagus officinalis, L.) (1996)
    Springer
    Plant foods for human nutrition 49 (1996), S. 13-26 
    Details
    ISSN: 1573-9104
    Keywords: Asparagus ; Ripening ; Minerals ; Calcium ; Magnesium ; Sodium ; Potassium and phosphorus
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract The essential elements: calcium (Ca), magnesium (Mg), sodium (Na) potassium (K) and phosphorus (P) were analyzed in fresh asparagus to determine the effect of the ripening of the asparagus on the mineral content. Asparagus samples were classified in two groups by diameter (〈11 mm and 〉14 mm). Asparagus from a sample group with the same diameter were divided into two portions (apical and basal) according to distance from the tip. The concentrations of calcium, magnesium and phosphorus increased with the ripening process of the asparagus while the content of sodium decreased when the white asparagus turned into a green ripening state. No significant differences were established for potassium. The green ripening state was the group with the greater concentration of calcium, magnesium and phosphorus. Statistically significant differences (p〈0.001) were observed between portions of asparagus (tip and rest of stem) in the contents of the five mineral elements analyzed. The levels of mineral elements investigated increased notably in the tip of the asparagus with the exception of sodium and potassium of which the levels in the apical portion decreased or hardly modified. The variance analyses determined statistically significant differences (p〈0.001) in the concentration of magnesium, sodium and phosphorus between asparagus diameters (〈11 and 〉14 mm) and no significant differences (p〉0.05) were found for calcium and potassium. The mean element levels were (mg/kg dry weight): Ca=3240±1186; Mg=1818±490; Na=368±86; K=37297±4167 and P=6809±2491.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01092518
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  • 2
    Electronic Resource
    Electronic Resource
    Influence of vegetative cycle of asparagus (Asparagus officinalis L.) on copper, iron, zinc and manganese content (1995)
    Springer
    Plant foods for human nutrition 47 (1995), S. 349-355 
    Details
    ISSN: 1573-9104
    Keywords: Asparagus ; Copper ; Iron ; Manganese ; Vegetative cycle ; Zinc
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract The essential elements copper (Cu), iron (Fe), zinc (Zn) and manganese (Mn) were analyzed in fresh asparagus to determine the effects of the vegetative cycle of the plant on the micronutrient content. Asparagus samples were classified in two groups by diameter (〈11 mm and 〉14 mm). Asparagus from a sample group with the same diameter were divided into two portions (apical and basal) according to distance from the tip. The concentrations of copper, iron, zinc and maganese increased during the vegetative cycle of the asparagus, mainly in the apical portion which showed significantly greater concentrations with respect to the basal portion. The 〉14 mm diameter asparagus presented higher levels of copper, zinc and manganese, whereas the concentration of iron was greater in the 〈11 mm diameter asparagus. The mean element levels were (mg/kg dry weight): Cu, 18.9±3.9; Fe, 91.7±33.7; Zn, 69.5±24.6 and Mn, 20.9±5.0).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01088273
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  • 3
    Electronic Resource
    Electronic Resource
    Stability of isomeric Na n clusters (1991)
    Springer
    The European physical journal 19 (1991), S. 141-143 
    Details
    ISSN: 1434-6079
    Keywords: 31.20.Sy ; 36.40. +d
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A method which combines density functional theory and the use of pseudopotentials is applied to obtain ground state and low-lying metastable geometries of Na n clusters (7≤n≤40). The large variation in the magnitude of energy gaps between isomers suggests that the melting temperature is not a simple monotonous function of size. A detailed study of the differences between electronically stabilized (n=8, 20, 40) and structurally stabilized (n=13) clusters suggests some clues to understand the intriguing behaviour of Na13.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01448275
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  • 4
    Electronic Resource
    Electronic Resource
    Evaporation rates of hot sodium clusters (1991)
    Springer
    The European physical journal 20 (1991), S. 119-122 
    Details
    ISSN: 1434-6079
    Keywords: 36.40. + d ; 31.20.Sy ; 65.50. + m ; 63.70. + h
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A scheme based in density functional theory with pseudopotentials is used to obtain the normal modes of vibration of Na n clusters (4 ≤n ≤ 22). The monomer and dimer evaporation rates from thermally excited clusters are obtained in this harmonic approximation. The time evolution of the abundance spectra from an initial uniform mass distribution of hot clusters is studied and its influence in the experimentally observed spectra is discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01543952
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  • 5
    Electronic Resource
    Electronic Resource
    Ionic vibrational breathing mode of metallic clusters (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 61 (1997), S. 613-626 
    Details
    ISSN: 0020-7608
    Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The energy of the vibrational mode with spherical symmetry, in which the ionic cores oscillate in the radial direction around the equilibrium geometry (ionic breathing mode) is calculated for trivalent (AlN, 2≤N≤50) and monovalent (NaN, 2≤N≤73; CsN, 2≤N≤74) metallic clusters. The ground-state total energy is calculated using density functional theory, with a spherically averaged pseudopotential to describe the ion-electron interaction and optimizing the geometry by the simulated annealing technique. The energy of the ionic mode is calculated by diagonalization of the dynamical matrix including the electronic relaxation in the linear response approximation. The compressibility and bulk modulus of the metallic cluster are obtained from the energies of the monopole oscillations. These energies present a linear behavior on the inverse of the cluster radius, which is analyzed using a semiclassical liquid drop mass formula for the total energy of the clusters and a scaling model. The values of the vibrational frequencies present electronic shell closing effects for the three metals.©1997 John Wiley & Sons, Inc.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Mixed lead-alkali clusters in the gas phase and in liquid alloys (1998)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 69 (1998), S. 341-348 
    Details
    ISSN: 0020-7608
    Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Ab initio density functional calculations for NanPb, LinPb, NanPb4, and LinPb4 are reported. The abundance of Na6Pb observed in gas-phase experiments is explained as a consequence of evaporative cooling, which stops at Na6Pb because of the high evaporation energy of this cluster. Insight is also provided into the clustering in the liquid Li-Pb and Na-Pb alloys. Anomalies in several electronic, structural, and thermodynamic properties were detected at certain compositions (20% Pb in Li-Pb; 20% Pb and 50% Pb in Na-Pb) and our calculations support the interpretation of those anomalies in terms of the formation of octet and Zintl clusters.   © 1998 John Wiley & Sons, Inc. Int J Quant Chem 69: 341-348, 1998
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Crystal Structure of a New Acentric Oxide Fluoride of VIV: BaVOF4 (1994)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 309-312 
    Details
    ISSN: 0044-2313
    Keywords: Barium vanadium oxide fluoride ; synthesis ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Kristallstruktur eines neuen azentrischen Oxidfluorids des VIV: BaVOF4Die Struktur von BaVOF4, erhalten durch hydrothermale Synthese, wurde röntgendiffraktometrisch aus Einkristalldaten bestimmt: Raumgruppe Fdd2 (azentrisch), Z = 16, a = 7,920(1), b = 27,608(2), c = 7,375(1) Å mit R = 0,0262, Rw = 0,0273 für 1 508 unabhängige Reflexe und 64 Parameter. Das Gitter wird von cis-verknüpften VOF5-Oktaedern aus gewinkelten unendlichen Ketten entlang [101] und [101] gebildet, die über Barium-Kationen verbunden sind. Die Lage der O2- und F- wird mittels Valenzband-Rechnungen diskutiert. Wie für BaTiOF4 und einige Verbindungen aus der Reihe AIIMIIIF5 (A = Ba, Sr und M = Ga, Al, Mn) kann die Struktur durch quasi-hexagonal dichteste Ebenen aus Stapeln von Ba2+, O2-- und F--Ionen beschrieben werden.
    Notes: The structure of BaVOF4 has been determined by X-ray diffraction data from a single crystal obtained by hydrothermal synthesis: S.G. Fdd2 (acentric), Z = 16, a = 7.920(1), b = 27.608(2) and c = 7.375(1) Å with R = 0.0262 and Rw = 0.0273 for 1 508 independent reflections and 64 parameters. The network is built up from cis-linked VOF5 octahedra forming infinite kinked chains running along the [101] and [101] directions, connected by barium cations. The location of O2- and F- ions is discussed using bond valence calculations. As for BaTiOF4 and some compounds in the series AIIMIIIF5 (A = Ba, Sr and M = Ga, Al, Mn), the structure can be described in terms of a quasi hexagonal compact planes stacking of Ba2+, O2- and F- ions.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19946200216
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  • 8
    Electronic Resource
    Electronic Resource
    Ba3V2O4F8: [V4(O,F)20]8- tetrameric groups of octahedra inserted a tridimensional network of (FBa4) tetrahedra (1993)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 619 (1993), S. 1597-1602 
    Details
    ISSN: 0044-2313
    Keywords: Barium vanadium oxide fluorides ; crystal structures ; bond valence calculations ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Ba3V2O4F8: [V4(O,F)20]8- tetramere Gruppen von Oktaedern in einem dreidimensionalen Netz von (FBa4)-TetraedernBa3V2O4F8 wird durch hydrothermale synthese dargestellt und die Kristallstruktur aus Einkristalldaten bestimmt: Raumgruppe: Pnnm, Z = 4, a = 9,945(4), b = 10,277(1), c = 9,673(1) Å; R = 0,0331, Rw = 0,0315 für 892 unabhängige Reflexe und 86 freie Parameter. Die Struktur ist verwandt mit der von Ba3Al2F12 und kann durch isolierte, tetramere [V4(O,F)20]8--Gruppen von Oktaedern in einem dreidimensionalen Netz von (FBa4)-Tetraedern beschrieben werden. Die Anordnung der Sauerstoff- und Fluoratome wird mit Hilfe von Valenzband-Rechnungen diskutiert.
    Notes: Ba3V2O4F8 is prepared by hydrothermal synthesis. The crystal structure is established from single crystal X-ray diffraction data: Space group Pnnm, Z = 4, a = 9.945(4) Å, b = 10.277(1) Å and c = 9.673(1) Å R = 0.0331, Rw = 0.0315 for 892 independent reflections and 86 parameters. The structure is related to that Ba3Al2F12 and is described in terms of isolated [V4(O,F)20]8- tetrameric groups of octahedra inserted in a tridimensional network of (FBa4) tetrahedra. Location of oxygen and fluorine atoms is discussed with the help of bond valence calculations.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19936190915
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  • 9
    Electronic Resource
    Electronic Resource
    Ba7Fe6F32 · 2H2O: Original isolated trimers [Fe3F16]7- in a new defective jarlite-type compound (1995)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 621 (1995), S. 1025-1032 
    Details
    ISSN: 0044-2313
    Keywords: Barium iron fluoride ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Ba7Fe6F32 · 2H2O: isolierte [Fe3F16]7--Trimere in einer neuen Verbindung vom Defekt-Jarlit-TypBa7Fe6F32 · 2H2O wurde aus wäßriger HF-Lösung in einer Teflon-Bombe (Berghof) bei 180°C dargestellt. Ein teilweiser F-/OH--Austausch erfolgt in verdünnterem HF-Medium und führt zu Ba7Fe6F32-x(OH)x · 2H2O. Die Verbindungen kristallisieren im monoklinen System, Raumgruppe C2/m (Z = 2) mit a = 17,023(1) Å, b = 11,482(1) Å, c = 7,624(1) Å, β = 101,13(1)° für x = 0 und a = 17,036(2) Å, b = 11,489(1) Å, c = 7,620(2) Å, β = 101,48(1)° für x ≍ 5,3. Die Struktur wurde aus 2 256 bzw. 1 343 unabhängigen Reflexen für x = 0 bzw. x ≍ 5,3 mit einem Siemens AED2 Vierkreisdiffraktometer (MoKα) bestimmt; für x = 0: R = 0,0235, Rw = 0,0240; für x ≍ 5,3: R = 0,0324, Rw = 0,0335. Die eng mit dem Jarlit-Typ verwandte Struktur wird aus isolierten Oktaedertrimeren [Fe3F16]7- aufgebaut, die durch Ba2+-Ionen verknüpft werden. Die Lage der Anionen und Wassermoleküle wird mittels Valenzband-Rechnungen diskutiert. Magnetische-und Mössbauer-Untersuchungen werden diskutiert.
    Notes: Ba7Fe6F32 · 2H2O was prepared from HF aqueous solution in a teflon bomb (Berghof) at 180°C. A partial exchange F-/OH- can be realized in more diluted HF medium and leads to Ba7Fe6F32-x(OH)x · 2H2O. The compounds crystallize in the monoclinic system, space group C2/m (Z = 2) with a = 17.023(1) Å, b = 11.482(1) Å, c = 7.624(1) Å, β = 101.13(1)° for x = 0 and a = 17.036(2) Å, b = 11.489(1) Å, c = 7.620(2) Å, β = 101.48(1)° for x ≍ 5.3. The structures were determined from 2 256 and 1 343 independent reflections for x = 0 and x ≍ 5.3 respectively, collected with a Siemens AED2 four-circle diffractometer with the MoKα radiation (R = 0.0235 and Rw = 0.0240 for x = 0 and R = 0.0324 and Rw = 0.0335 for x ≍ 5.3). The structure, closely related to that of the Jarlite-type, is built up from isolated octahedra trimers [Fe3F16]7-, connected together by Ba2+-cations. The location of anions and water molecules is discussed from bond valence calculations. Magnetic and Mössbauer studies are reported and discussed.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19956210622
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  • 10
    Electronic Resource
    Electronic Resource
    Synthesis and Crystal Structure of Ba4Mo2O5F7(HF2)3 · H2O (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 439-443 
    Details
    ISSN: 0044-2313
    Keywords: Barium ; molybdenum oxyfluoride ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthese und Kristallstruktur von Ba4Mo2O5F7(HF2)3 · H2OEinkristalle von Ba4Mo2O5F7(HF2)3 · H2O wurden durch hydrothermale Synthese erhalten. Die Röntgenstrukturbestimmung ergab: Raumgruppe Pnnm, Z = 4, a = 16,497(1), b = 8,6939(5), c = 11,5174(6) Å (R = 0,0295, Rw = 0,0354 für 2425 unabhängige Reflexe und 126 Parameter). Mo ist im MoO3F3 verzerrt oktaedrisch umgeben. Zwei Oktaeder bilden, übereck verbunden durch O2-, (Mo2O5F6)4--Einheiten entlang der c-Achse. Die Ba-Atome liegen in zwei unterschiedlichen Umgebungen vor: einem quasi dreifach bekappten Kubus für Ba1 und Ba3 und einem dreifach bekappten trigonalen Prisma für Ba2.
    Notes: Single crystals of Ba4Mo2O5F7(HF2)3 · H2O are grown by hydrothermal synthesis. The structure is determined from X-Ray diffraction data: space group Pnnm, Z = 4, a = 16.497(1) Å, b = 8.6939(5) Å, c = 11.5174(6) Å (R = 0.0295, Rw = 0.0354 for 2425 independent reflections and 126 adjustable parameters). Mo atoms are in a distorted octahedral environment MoO3F3; two octahedra are linked by one O2- corner forming (Mo2O5F6)4- units lying along the c axis. Ba atoms present two kinds of environment: a quasi tricapped cube for Ba1 and Ba3 and a tricapped tricapped trigonal prism for Ba2.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19976230170
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