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1Author    S. Mann, M. JansenRequires cookie*
 Title    Ein neuer Zugang zu ionischen Thionylimiden. Einkristallstruktur von N(CH3)4NSO A New Access to Ionic Thionylimides. Single Crystal Structure of N(CH3)4NSO  
 Abstract    Single crystals of N (C H 3)4NSO have been prepared via ion exchange from RbNSO or CsNSO and tetraalkylammonium halides in liquid ammonia and investigated by X-ray single crystal techniques (14, a = 1137.6(1), c = 1134.9(2) pm, Z = 8, T = -1 0 0 °C). The crystal structure of N (C H 3)4NSO is related to the CsCl-type of structure. Using the same preparative route N M e3B zN SO has been obtained. Its lattice powder data (orthorhombic primitive; a = 896.3(2) 
  Reference    Z. Naturforsch. 49b, 1503—1506 (1994); eingegangen am 13. Juni 1994 
  Published    1994 
  Keywords    Thionylimide, Ion Exchange, Tetramethylammonium, Crystal Structure, Benzyltrimethylammonium 
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 TEI-XML for    default:Reihe_B/49/ZNB-1994-49b-1503.pdf 
 Identifier    ZNB-1994-49b-1503 
 Volume    49 
2Author    Kai Landskron, Stefan Horstmann, Wolfgang SchnickRequires cookie*
 Title    Neue Tetraaminophosphonium-Salze durch Anionenaustausch in flüssigem Ammoniak Novel Tetraaminophosphonium Salts by Anion Exchange in Liquid Ammonia  
 Abstract    [P(NH2)4]Br and [P(NH2)41[N 03] have been prepared by anion exchange in liquid ammonia. Single crystals of [P(NH2)4]Br were obtained from an acetonitrile solution in a tempera­ ture gradient between 60 °C and room temperature while attempts to grow single crystals of [P(NH2)4][N 0 3] yielded [P(NH2)4][N 0 3](O P(N H 2)3). Both crystal structures were determined by single crystal X-ray methods at room temperature ([P(NH-))4]Br: P4/nbm, a = 809.2(1), c = 468.1(1) pm, Z = 2, R \ = 0.042, wR2 = 0.077; [P(NH2)4][NÖ3](OP(NH2)3): Pna2,, Z = 4, a = 1023.4(1), b = 1704.7(1), c = 618.0(1) pm, R \ =0.025', wR2 = 0.067. In the solid [P(NH2)4]Br forms a tetragonally distorted variant of the CsCl type of structure. [P(NH2)4][N 0 3](0P (N H 2)3) consists of [P(NH2)4]+cations, [N 0 3]_ anions, and OP(NH2)3 molecules which are interconnec­ ted by a complex system of hydrogen bonds. 
  Reference    Z. Naturforsch. 54b, 1019—1026 (1999); eingegangen am 12. April 1999 
  Published    1999 
  Keywords    Phosphorus, Ion Exchange, Liquid Ammonia, Crystal Structure 
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 TEI-XML for    default:Reihe_B/54/ZNB-1999-54b-1019.pdf 
 Identifier    ZNB-1999-54b-1019 
 Volume    54 
3Author    Satoshi Yanase, Takao OiaRequires cookie*
 Title    A b initio Molecular Orbital Calculations of Reduced Partition Function Ratios of Hydrated Lithium Ions in Ion Exchange Systems  
 Abstract    Molecular orbital (MO) calculations at the HF/6-31G(d) level were carried out for the aquolithium ions, Li+(H20)" (n = 3, 4, 5, 6, 8, 10 and 12) and the aquolithium ions interacting with the methyl sul­ fonate ion (MeS-), Li+MeS~(H20)" (n = 0, 3,4, 5, 6, 7, 8 and 10) which were, respectively, intended to be substitutes for lithium species in the solution and resin phases of ion exchange systems for lithium isotope separation. For each of the species considered, at least one optimized structure with no negative frequency was obtained, and the 7Li-to-6Li isotopic reduced partition function ratio (RPFR) was esti­ mated for the optimized structure. The solvation number in the primary solvation sphere was four, both in the solution and resin phases; three waters and MeS" formed the primary solvation sphere in the res­ in phase. Additional water molecules moved off to the secondary solvation sphere. It was found that consideration on the primary solvation sphere alone was insufficient for estimations of reduced parti­ tion function ratios of aquolithium ions. Although the agreement between the experimentally obtained lithium isotope fractionation and the calculated results is not satisfactory, it is pointed out that the HF/6-31 G(d) level of the theory is usable for elucidation of lithium isotope effects in aqueous ion exchange systems. 
  Reference    Z. Naturforsch. 56a, 297—306 (2001); received February 15 2001 
  Published    2001 
  Keywords    Ab initio Molecular Orbital Calculations, Reduced Partition Function Ratios, Hydrated Lithium Ion, Lithium Isotope Effects, Ion Exchange 
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 TEI-XML for    default:Reihe_A/56/ZNA-2001-56a-0297.pdf 
 Identifier    ZNA-2001-56a-0297 
 Volume    56 
4Author    Kristallstruktur Neuer, Kai Landskron, Wolfgang SchnickRequires cookie*
 Title    Synthese und  
 Abstract    -diphosphazenium bromide [(NH->)3PNP(NHi)3]Br, nitrate 1(NH2)3PNP(NH2)3][N03], and toluene-4-sulfonate [(NH2)3PNP(NH2)3][CH3C6H4S0 3] have been prepared by anion exchange in aqueous solution. Single crystals were obtained from acetonitrile solutions in a temperature gradient between 60 °C and room temperature. The crystal structures were determined by single crystal X-ray methods at room temperature. ([(NH2)3PNP(NH2)3]Br: P i, Z = 2, a = 596.2(1),b = 744.5(1), c = 1114.4(1) pm, a = 108.78(1), ß = 104.18(1), 7 = 90.64(1)°, R 1 = 0.048, wR2 = 0.104; [(NH2)3PNP(NH2)3][N03]: Pi, Z = 2, a = 550.9(1), b = 796.3(1), c = 1115.7(1) pm, a = 94.45(1), ß = 99.55(1), 7 = 101,53(1)°, R l = 0.033, wR2 = 0.095; [(NH2)3PNP(NH2)3][CH3C6H4S 0 3]: P2,/c, Z = 4, a = 804.1(1), b = 596.1(1), c = 3218.7(3) pm, ß = 94.59(1)°, /?1 = 0.052, wR2 = 0.136). In the solid the three salts consist of discrete [(NHi)3PNP(NH2)3]+ cations and their corresponding anions. The PN4 tetrahedra in [(NH2)3PNP(NH2j3]Br are staggered, while in [(NH2)3PNP(NH2)3][N03] the eclipsed conformation is preferred. The PN4 tetrahedra of [(NH2)3PNP(NH2)3][CH3C 6H4S 0 3] show gauche conformation. 
  Reference    Z. Naturforsch. 54b, 1363—1370 (1999); eingegangen am 13. Juli 1999 
  Published    1999 
  Keywords    3, 3, 3-Hexaamino-lA5, 3A5-diphosphazenium-Salze Synthesis and Crystal Structure of Novel l, l, l, 3, 3, 3-Hexaamino-lA5, 3A5-diphosphazenium Salts Phosphazenes, Ion Exchange, Crystal Structure 1, 1, 1, 3, 3, 3-Hexaamino-lA\3A5 
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 TEI-XML for    default:Reihe_B/54/ZNB-1999-54b-1363.pdf 
 Identifier    ZNB-1999-54b-1363 
 Volume    54