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  • 1990-1994  (4)
  • MAPLE calculation  (3)
  • Analytical Chemistry and Spectroscopy  (1)
  • 1
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 618 (1992), S. 60-63 
    ISSN: 0044-2313
    Keywords: Litho-Manganate(V), Cs2{Li[MnO4]} ; preparation ; single crystal structure ; MAPLE calculation ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The First “Litho-Manganate(V)” with Layer-Structure: Cs2{Li[MnO4]}By heating intimate mixtures of the oxides [CsO1,2, Li2MnO3; Cs: Mn = 2,3 : 1; Ag-Zylinder, 580°C, 62 d] blue-green single crystals of Cs2{Li[VO4]} were obtained for the first time. The new “Litho-Manganate(V)” crystallices orthorhombic (SG: Cmc21) with a = 596.08(7), b = 1202.6(1), c = 816.8(1) pm (Guinier-Simon data), Z = 4. It is isotypic with Cs2{Li[VO4]} [1].The structure was determined by four-circle-diffractometer data [Mo—Kα, for 496Io(hkl) R = 3.1%, R, = 2.4%], parameters see text.The Madelung Part of Lattice Energie, MAPLE and Effective Coordination Numbers, ECoN, these calculated via Mean Fictive Ionic Radii, MEFIR, are calculated and disscussed.
    Notes: Erstmals wurde Cs2{Li[MnO4]} beim Tempern inniger Gemenge der Oxide [CsO1,2, Li2MnO3; Cs: Mn = 2,3 : 1; Ag-Zylinder, 580°C, 62d] in Form blaugrüner Einkristalle erhalten. Das neue “Litho-Manganat(V)” kristallisiert orthorhombisch (RG: Cmc21) mit a = 596,08(7), b = 1202,6(1), c = 816,8(1) pm (Guinier-Simon-Daten), Z = 4. Es ist isotyp zu Cs2{Li[VO4]} [1].Die Strukturaufklärung erfolgte mittels Vierkreisdiffraktometerdaten [Mo—Kα, für 496 Io(hkl) R = 3,1%, Rw = 2,4%], Parameter siehe Text.Der Madelunganteil der Gitterenergie, MAPLE und die Effektiven Koordinationszahlen, ECoN, diese über Mittlere Fiktive Ionenradien, MEFIR, werden berechnet und diskutiert.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 619 (1993), S. 1419-1425 
    ISSN: 0044-2313
    Keywords: Lithium permanganate, Li[MnO4] ; preparation ; crystal structure ; neutron powder data ; MAPLE calculation ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Coordination Number 4 or 6 for Lithium?: The Crystal Structure of Lithium Permanganate, Li[MnO4]Waterless 7Li[MnO4] was obtained by dehydration of 7Li[MnO4] · 3 D2O at 60°C above P4O10 in vacuum as violet powder.The structure determination by neutron diffraction measurements via pulsed polychromatic neutron source [time-of-flight powder diffractometer; profile-R-value = 2.1%, Bragg-R-value = 7.4%] confirms the space group Cmcm with a = 551.402(8), b = 839.754(15), c = 635.911(10) pm (Z = 4); parameters see text. The crystal structure of Li[MnO4] corresponds to the CrVO4-type with coordination number 6 for lithium and 4 for manganese.The Madelung Part of Lattice Energie, MAPLE, the Effective Coordination Numbers, ECoN and the charge distribution were calculated and discussed.
    Notes: Durch Trocknung von 7Li[MnO4] · 3 D2O bei 60°C über P4O10 im Vakuum wurde wasserfreies 7Li[MnO4] als violettes Pulver erhalten.Die Strukturaufklärung mittels Neutronenbeugungsmessungen im gepulsten polychromatischen Neutronenstrahl [Flugzeitdiffraktometer; Profil-R-Wert = 2,1%, Bragg-R-Wert = 7,4%] belegt die Raumgruppe Cmcm mit a = 551,402(8), b = 839,754(15), c = 635,911(10)pm (Z = 4); Parameter siehe Text. Die Kristallstruktur von Li[MnO4] entspricht dem CrVO4-Typ mit der Koordinationszahl 6 für Lithium und 4 für Mangan.Der Madelunganteil der Gitterenergie, MAPLE, Effektive Koordinationszahlen, ECoN und die Ladungsverteilung wurden berechnet und diskutiert.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 617 (1992), S. 37-44 
    ISSN: 0044-2313
    Keywords: Oxoruthenates(VI), CsK5[RuO5][RuO4] ; Preparation ; single crystal structure ; MAPLE calculation ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On „Mixed-coordinated“ isolated Anions. 2. A New Type of Oxoruthenates(VI): CsK5Ru2O9 = CsK5[RuO5][RuO4]By heating of intimate mixtures of the oxides [KO1.1, CsO1.2, RuO2; K:Cs:Ru = 2.2:1:1; Ag-tube, 750°C, 34d] dark-green single crystals of CsK5Ru2O9 = CsK5[RuO5][RuO4] were obtained for the first time. Ru6+ shows two different polyhedra in this oxide (tetrahedron, trigonal bipyramid). Untill now Rb6[TeO5][TeO4] [1] next to „Mg4GeO6“ [3] and the isotypic high-pressure silicate [4] was the only examples known. The structure was determined by four-circle diffractometer data [Mo—Kα, 1824 from 1949 I0(hkl), SG: Pnma, R equals; 12.6%, Rw = 4.5%], parameters see text. Guinier-Simon data gave a = 1701.6(3), b = 827.6(1), c = 905.7(1) pm, Z = 4. The Madelung Part of Lattice Energy, MAPLE, Effective Coordination Numbers, ECoN, these calculated via Mean Fictive Ionic Radii, MEFIR, were calculated and discussed.
    Notes: Durch Tempern inniger Gemenge der binären Oxide [KO1,1, CsO1,2, RuO2; K:Cs:Ru = 2,2:1:1; Ag-Zylinder, 750°C, 34d] wurde erstmals CsK5Ru2O9 = CsK5[RuO5] [RuO4] in Form dunkelgrüner Einkristalle erhalten. In diesem Oxid tritt Ru6+ in zwei unterschiedlichen „Anionen“ auf (Tetraeder und trigonale Bipyramide). Vertreter dieser Art sind bei Halogeniden wie Chalkogeniden sehr rar. Bislang sind uns neben Rb6[TeO5] [TeO4] [1] nur „Mg4GeO6“ [3] und das isotype Silicat unter Hochdruck [4] bekannt. Die Strukturaufklärung erfolgte mittels Vierkreisdiffraktometer [Mo—Kα, 1824 von 1949 I0(hkl), RG:Pnma, R = 12,6%, Rw = 4.5%], Parameter siehe Text. Aus Guinier-Simon-Daten folgt a = 1701,6(3), b = 827,6(1), c = 905,7(1)pm, Z = 4. Der Madelunganteil der Gitterenergie, MAPLE, Effektive Koordinationszahlen, ECoN, diese über Mittlere Fiktive Ionenradien, MEFIR, wurden berechnet und diskutiert.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    Journal of Raman Spectroscopy 22 (1991), S. 19-30 
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The Raman spectra of liquid (CH3)4-mSi(CD3)m (m = 0-4), (CH2D)4-nSi(CH3)n and (CHD2)4-nSi(CD3)n (n = 0-3) were recorded from 3200 to 50 cm-1. Normal coordinate analyses were made using both a unique internal valence force field (IVFF 1) for all 13 isotopomers and 13 slightly modified IVFF 2s for each isotopomer, including torsional modes in each case. Vibrational assignments were made using the potential energy distributions and eigenvectors in addition to the depolarization ratios, the IR spectra and the Teller-Redlich product rule.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
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