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  • Inorganic Chemistry  (44)
  • Pesticides  (2)
  • 3-Diethylamino-5-phenyl-1,2,4-diselenazolium-tetrachloroniccolate(II)  (1)
  • 1
    ISSN: 1432-0789
    Keywords: Key words Soil organic matter ; Microbial activity ; Groundwater contamination ; Pesticides ; Spodic horizons ; Landscape planning
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences , Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract In sandy gleyic soils with a low groundwater table under arboriculture in Northwest Germany, a wide variation of groundwater pollution by pesticides has been observed. We therefore examined data on microbial activity and soil organic matter composition by wet chemistry, cross-polarization magic-angle spinning and 13C nuclear magnetic resonance, and pyrolysis–field ionization mass spectromy. However, neither microbial activity nor the soil organic matter composition of cultivated topsoils explained the differences in xenobiotic leaching into the groundwater. Data from Anthrosols suggested that these soils have a higher capacity for pesticide bonding because of high amounts of aromatic and carboxylic C moieties in the soil organic matter. However, despite the same pesticide inputs and time of application, the leached output from these soils was higher than that from the Podzols. Initial data from subsoil investigations suggest that the presence of a spodic horizon most likely reduces groundwater pollution by pesticides. Studies to assess fixation capacity and desorption kinetics in Bh horison seem warranted.
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 1432-0789
    Keywords: Soil organic matter ; Microbial activity ; Groundwater contamination ; Pesticides ; Spodic horizons ; Landscape planning
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences , Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract In sandy gleyic soils with a low groundwater table under arboriculture in Northwest Germany, a wide variation of groundwater pollution by pesticides has been observed. We therefore examined data on microbial activity and soil organic matter composition by wet chemistry, cross-polarization magic-angle spinning and 13C nuclear magnetic resonance, and pyrolysis-field ionization mass spectromy. However, neither microbial activity nor the soil organic matter composition of cultivated topsoils explained the differences in xenobiotic leaching into the groundwater. Data from Anthrosols suggested that these soils have a higher capacity for pesticide bonding because of high amounts of aromatic and carboxylic C moieties in the soil organic matter. However, despite the same pesticide inputs and time of application, the leached output from these soils was higher than that from the Podzols. Initial data from subsoil investigations suggest that the presence of a spodic horizon most likely reduces groundwater pollution by pesticides. Studies to assess fixation capacity and desorption kinetics in Bh horison seem warranted.
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Dithiazolium Salts of Halometalates - Synthesis and Structure of 3-Diethylamino-5-phenyl-1,2,4-dithiazolium-tetrachloroniccolate (II)Chlorination of NiII-coordinated 1,1-diethyl-3-benzoyl-thiourea by SOCl2 in acetonitrile yields turquoise 3-diethyl-amino-5-phenyl-1,2,4-dithiazolium-tetrachloroniccolate. Its reduction produces cis-bis-(1,1-diethyl-3-thiobenzoylthioureato)nickel(II). The mechanism of formation as well as the crystal and molecular structure of the title compound are presented.
    Notes: Die Chlorierung von an NiII innerkomplex gebundenem 1,1-Diethyl-3-benzoylthioharnstoff mittels SOCl2 führt in Acetonitril zu türkisem 3-Diethylamino-5-phenyl-1,2,4-dithiazolium-tetrachloroniccolat, aus dem durch Reduktion cis-Bis-(1,1-diethyl-3-thiobenzoyl-thioureato)nickel(II) zugänglich ist. Der Bildungsmechanismus des Dithiazoliumsalzes wird erörtert und die Kristall- und Molekülstrukturanalyse vorgestellt.
    Additional Material: 6 Ill.
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  • 4
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 580 (1990), S. 167-174 
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Crystal and Molecular Structure of Tris(1,1-diethyl-3-benzoyl-thioureato)ruthenium(III)The crystal and molecular structure of tris(1,1-diethyl-3-benzoyl-thioureato)-ruthenium(III) has been determined by an X-ray structure analysis. The compound crystallizes in the trigonal space group P3 with a = 16.556, c = 8.476 Å and Z = 2. The structure was solved by Patterson methods and refined to a final R value R = 0.074 for 801 observed reflections. The molecule has the symmetry C3. The coordination polyhedron is an octahedron with facial arrangement of the ligator atoms. The Ru—S and Ru—O distances are 2.293 Å and 2.047 Å, respectively.
    Notes: Die Kristall- und Molekülstruktur von Tris(1,1-diethyl-3-benzoyl-thioureato)ruthenium(III) wurde durch Röntgenkristallstrukturanalyse bestimmt. Die Verbindung kristallisiert trigonal in der Raumgruppe P3 mit den Gitterkonstanten a = 16,556, c = 8,476 Å und Z = 2. Die Struktur wurde mittels Patterson-Methoden gelöst und bis zu einem abschließenden R-Wert R = 0,074 für 801 beobachtete Reflexe verfeinert. Das Molekül besitzt die Symmetrie C3. Das Koordinationspolyeder ist ein Oktaeder mit facialer Anordnung der Ligator-Atome. Die Ru—S- und Ru—O-Abstände betragen 2,293 Å bzw. 2,047 Å.
    Additional Material: 3 Ill.
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  • 5
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 586 (1990), S. 79-86 
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthesis and Structure of Bis(3-diethylamino-5-phenyl-1,2,4-dithiazolium)-tetrachlorocobaltat(II)The title compound 1 was prepared by reaction of Tris(1,1-diethyl-3-benzoyl-thioureato)cobalt(III) with SOCl2 in acetonitrile. 1 has been characterized by IR-spectroscopy and VIS-spectroscopy.The structure of 1 has been determined by an X-ray structure analysis. The compound crystallizes in the monoclin space group C2/c with a = 16.224; b = 11.257; c = 17.697 Å; β = 107,43° and Z = 4. The final R value was R = 0.027 for 2073 observed reflections.The cation of 1 is nearly plane with an extended delocalization of electrons. The CoCl42- anion is tetrahedral with two different long Co—Cl pairs. Interionic contacts S … Cl exists between the structural units of the cations and the anion.
    Notes: Die Darstellung der Titelverbindung 1 erfolgt aus Tris(1,1-diethyl-3-benzoyl-thioureato)-cobalt(III) mit SOCl2 in Acetonitril. 1 wird IR-spektroskopisch und durch VIS-Spektren charakterisiert.Die Struktur von 1 wurde durch Röntgenkristallstrukturanalyse bestimmt. Die Verbindung kristallisiert monoklin in der Raumgruppe C2/c mit den Gitterkonstanten a = 16,224; b = 11,257; c = 17,697 Å, β = 107,43° und Z = 4. Der abschließende R-Wert betrug R = 0,027 für 2073 beobachtete Reflexe.Das Kation von 1 ist nahezu planar und weist eine weitreichende Elektronendelokalisierung auf. Das CoCl42--Anion ist tetraedrisch strukturiert und besitzt zwei unterschiedlich lange Co—Cl-Paare. Zwischen Kation- und Anion-Struktureinheiten bestehen über S und Cl interionische Wechselwirkungen.
    Additional Material: 2 Ill.
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  • 6
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Cis-Trans Isomerism in N-Thioacyl Thiourea Chelates: The Structure of cis-Bis(l,l-diethyl-3-thiobenzoyl-thioureato)nickel(II)In addition to two crystalline modifications in which the ligands are arranged in trans position, bis(1,1-diethyl-3-thiobenzoyl-thioureato)nickel(II) forms a further modification with cis position of the ligands whose structure has been confirmed by an X-ray structure analysis. It crystallizes in the space group P21/c with a=11.316, b=17.981, c=14.331 Å,β=111.85° and Z=4. The coordination is slightly tetrahedrally distorted. Bond lengths and angles are in good agreement with those of the trans modifications. The average Ni—S bond length is 2.167 Å.
    Notes: Bis(1,1-diethyl-3-thiobenzoyl-thioureato)nickel(II) bildet neben zwei kristallinen Modifikationen, in denen die Liganden in trans-Stellung am Nickel-Atom angeordnet sind, auch eine Modifikation mit cis-Stellung der Liganden, deren Struktur mittels Röntgenstrukturanalyse bestätigt wird. Sie kristallisiert in der Raumgruppe P21/c mit den Gitterkonstanten a=11,316, b=17,981, c=14,331 Å,β=111,85° und Z=4. Die Koordination ist leicht tetraedrisch verzerrt. Bindungslängen und-winkel stimmen gut mit denen der trans-Modifikationen überein. Die mittlere Ni—S-Bindungslänge beträgt 2,167 Å.
    Additional Material: 2 Ill.
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  • 7
    ISSN: 0044-2313
    Keywords: Nickel(II) chelates ; syntheses ; crystal structures ; FAB mass spectra ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Di- and Trinuclear Nickel(II) Chelates of Bis-bidentate N-AcylselenoureasBis-bidentate isophthaloyl-bis(selenoureas) form with nickel(II) ions under deprotonating conditions macrocyclic dinuclear metal chelates. This was confirmed by X-ray crystal structure analysis of the cyclo-di[nickel-μ-[1,1,1′,1′-tetraisobutyl-3,3′-iso-phthaloyl-bis-selenoureato(2-)Se,O:O′, Se′]], 2. The compound 2 crystallizes in the monoclinic space group P 21/c with a = 11.673 (1); b = 19.834 (2); c = 13.606 (1) Å; β = 107.45 (1)° and Z = 2. The final R value was R = 0.081 for 3049 observed reflections.Bis-bidentate terephthaloyl-bis(selenoureas) give under the same conditions macrocyclic trinuclear nickel(II) chelates.Both types of the complexes are characterized by FAB mass spectra.
    Notes: Bis-bidentate Isophthaloyl-bis(selenoharnstoffe) bilden mit Nickel(II)-Ionen unter deprotonierenden Bedingungen makrocyclische Zweikernchelate. Dies wurde durch Röntgenkristallstrukturanalyse des cyclo-Di[nickel-μ-[1,1,1,′,1′-tetraisobutyl-3,3′-iso-phthaloyl-bisselenoureaoto(2-)-Se, O:O′, Se′]], 2, bestätigt. Die Verbindung 2 kristallisiert monoklin in der Raumgruppe P 21/c mit den Gitterkonstanten a = 11,673 (1); b = 19,834 (2); c = 13,606 (1) Å; β = 107,45 (1)° und Z = 2. Der abschließende R-Wert betrug R = 0,081 für 3049 beobachtete Reflexe. Bis-bidentate Terephthaloyl-bis(selenoharnstoffe) ergeben unter den gleichen Bedingungen makrocyclische Dreikernnickel(II)-chelate.Beide Komplextypen wurden durch FAB-Massenspektren charakterisiert.
    Additional Material: 4 Ill.
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  • 8
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Crystal and Molecular Structure of a Novel Trimetallamacrocyle: cyclo-Tri[nickel-μ-[1,1,1′,1′-tetraethyl-3,3′-terephthaloyl-bis-thioureato(2-)-S,O:O′,S′]]The structure of the title compound has been determined by an X-ray structure analysis. The compound crystallizes in the triclinic space group P1 with a = 13.900, b = 15.403, c = 16.615 Å, δ = 84.01, β = 70.61, γ = 89.64° and Z = 2. The solution of the structure was performed by direct methods. The final R value was R = 0.073 for 2824 observed reflections. The molecule has a cyclic structure consisting of three molecules of the quadridentate ligand and three nickel atoms. The formed ring is a 27-membered trimetallamacrocycle. The nickel atoms form a nearly equilateral triangle with distances of 10.25 Å, 10.45 Å and 10.45 Å. The molecule is relatively planar.
    Notes: Die Struktur der Titelverbindung wurde durch Röntgenkristallstrukturanalyse bestimmt. Die Verbindung kristallisiert triklin in der Raumgruppe P1 mit den Gitterkonstanten a = 13,900, b = 15,403, c = 16,615 Å, δ = 84,01, β = 70,61, γ = 89,64° und Z = 2. Die Lösung der Struktur erfolgte mit direkten Methoden. Der abschließende R-Wert betrug R = 0,073 für 2284 beobachtete Reflexe. Das Molekül besitzt eine zyklische Struktur, bestehend aus drei Molekülen des quadridentaten Liganden und drei Nickel-Atomen. Der gebildete Ring ist ein 27gliedriger Trimetallamacrocyclus. Die Nickel-Atome bilden ein nahezu gleichseitiges Dreieck mit Abständen von 10,25 Å, 10,45 Å und 10,45 Å. Das Molekül ist relativ planar.
    Additional Material: 2 Ill.
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  • 9
    ISSN: 0044-2313
    Keywords: Copper, nickel complexes of N-acyl-thiourea derivatives ; acid dissociation constants ; complex stability constants ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Hydrophilic Substituted N-Acyl-thioureas  -  Acidity and Stability of Complexes in Dioxane/Water MixturesSome derivatives of N-acyl-thioureas containing hydroxy, ester or sulfonic acid groups as well as their copper(II) and nickel(II) complexes have been synthesized. Acid dissociation constants and complex stability constants have been measured pH-potentiometrically in dioxane/water mixtures ranging from 75 to 0% (v/v) dioxane involving main group and subgroup metal ions as well. The partially remarkable changes of the constants in varied solvent mixtures are discussed.
    Notes: Eine Reihe N-Acyl-thioharnstoffe mit Hydroxy-, Ester- oder Sulfonsäuregruppen und ihre Kupfer(II)- und Nickel(II)-Komplexe wurden erstmals synthetisiert und ihre Säuredissoziationskonstanten pH-potentiometrisch in Dioxan/Wassergemischen (Dioxangehalt 75 - 0 Vol.-%) bestimmt. Die Stabilitätskonstanten der Komplexe mit 1-, 2- und 3-wertigen Metallionen aus Haupt- und Nebengruppen des PSE wurden ebenfalls ermittelt. Die z. T. drastischen Veränderungen der Konstanten bei Variation der Lösungsmittelzusammensetzung werden diskutiert.
    Additional Material: 2 Ill.
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  • 10
    ISSN: 0044-2313
    Keywords: Chelates, Gadolinium(III) ; Stability Constants ; 1H-NMR Relaxivity ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Chelate Formation of N-Tris(2-aminoethyl)amine-N′,N′,N″,N″,N‴,N‴-hexaacetic Acid (H6TTAHA) and N-(Pyrid-2-yl-methyl)ethylenediamine-N,N′,N′-triacetic Acid (H3PEDTA) with Gadolinium(III) - Syntheses, Stability Constants, and NMR-RelaxivitiesThe chelate formation of N-tris(2-aminoethyl)amine-N′,N′,N″,N″,N‴,N‴-hexaacetic acid (H6TTAHA) and N-(pyrid-2-yl-methyl)ethylenediamine-N,N′,N′-triacetic acid (H3PEDTA) with gadolinium(III) has been studied potentiometrically in aqueous solution at 25°C and μ = 0.1 (KCl). [Gd(TTAHA)]3-: 1gβM/ML = 19.0; {H[Gd(TTAHA)]}2-: 1gKH/MHL = 8.30; [Gd(PEDTA)]: 1gβM/ML = 15.56. Both 1 : 1 gadolinium(III) complexes were isolated as Na2H[Gd(C18H24N4O12)] · 3.5 H2O and [Gd(C14H16N3O6)] · 3 H2O, respectively. Their 1H-NMR relaxivities [1 · mmol-1 · s-1] ({H[Gd(TTAHA)]}2-: 9.5; [Gd(PEDTA)]: 8.8) offer promising applications for 1H-NMR imaging.
    Notes: Die Komplexbildung von N-Tris(2-aminoethyl)amin-N′,N′,N″,N″,N‴,N‴-hexaessigsäure (H6TTAHA) und N-(Pyrid-2-yl-methyl)ethylendiamin-N,N′,N′-triessigsäure (H3PEDTA) mit Gadolinium(III) wurde in wässeriger Lösung bei 25°C und μ = 0,1 (KCl) potentiometrisch untersucht. [Gd(TTAHA)]3-: 1gβM/ML = 19,0; {H[Gd(TTAHA)]}2-: 1gKH/MHL = 8,30; [Gd(PEDTA)]: 1gβM/ML = 15,56. Die 1 : 1-Gadolinium(III)-Komplexe wurden im Fall der H6TTAHA als Dinatriumsalz Na2H[Gd(C18H24N4O12)] · 3,5 H2O, bei der H3PEDTA als Neutralkomplex [Gd(C14H16N3O6)] · 3 H2O erhalten. Ihre NMR-Protonenrelaxivitäten [1 · mmol-1 · s-1] ({H[Gd(TTAHA)]}2-; 9,5; [Gd(PEDTA)]: 8,8) eröffnen Anwendungen als Kontrastmittel für die Kernspintomographie.
    Additional Material: 3 Ill.
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