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2001[X]
181Author    ElenaG. Petkova3, KonstantinV. Domasevitcha, MarianV. Gorichkob, VeraY. Zuba, RostislavD. LampekaaRequires cookie*
 Title    New Coordination Compounds Derived from Nitrone Ligands: Copper(II) Complexes with 8-Hydroxyquinoline-2-carbaldehyde- and Pyridine-2-carbaldehyde-N-methylnitrones  
 Abstract    Nitrones, Copper New copper(II) complexes with 8-hydroxyquinoline-2-carbaldehyde-N-methylnitrone (HL1) (1) and pyridine-2-carbaldehyde-N-methylnitrone (L2) (2) have been synthesized. The crystal structure of compound 1 consists of binuclear molecules Cu2(L')2(N0 3)2 with the oxygen atoms of the hydroxy groups acting as bridges between the copper ions. The nitrone ligand in 1 is coordinated in a tridentate fashion forming five-and six-membered chelate rings, and the copper ions have a square-pyramidal environment with the bridging oxygen atoms in apical positions. In compound 2 Cu(L2)2(N0 3)2, the copper atom adopts a distorted octahedral environment with bidentately coordinated nitrone ligands. In both cases the nitrone groups are involved in coordination via the oxygen atom. Compounds 1 and 2 have been studied by EPR, UV-VIS and IR spectroscopy. The free nitrone HL1 has also been studied by X-ray diffraction as well as by IR and UV spectroscopy. 
  Reference    Z. Naturforsch. 56b, 1264—1270 (2001); received June 12 2001 
  Published    2001 
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 Identifier    ZNB-2001-56b-1264 
 Volume    56 
182Author    Daniela Koch, Wolfgang BeckRequires cookie*
 Title    Metallkomplexe mit biologisch wichtigen Liganden, CXL [1], Halbsandwich-Komplexe von Ruthenium(II), Rhodium(III), Iridium(III) sowie Palladium(II)-und Platin(II)-Komplexe mit iV,0-Chelaten von Fluor-und Thiophen-haltigen a-Aminosäuren Metal Complexes of Biologically Important Ligands, CXL [1]. Halfsandwich Complexes of Ruthenium(II), Rhodium(III), Iridium(III) and Palladium(II), Platinum(II) Complexes with N, O-Chelates of Fluorine and Thiophene Containing a-Amino Acids  
 Abstract    2-Fluorophenyl Glycine and Alanine, 2-Thienyl Glycine and Alanine, Ruthenium o-Fluorophenyl glycine and alanine, 2-thienyl glycine and alanine form with dinuclear, chloro bridged metal complexes the chiral N, O-chelates (arene)M (Cl)(NH2C H R C 0 2) (M = Ru, Rh, Ir; arene = cymene, Cp*) and (R3P)(C1)M(NH2C H R C 0 2) (M = Pd, Pt) as mixtures of diastereoisomers or cis/trans-isomers, respectively. 
  Reference    Z. Naturforsch. 56b, 1271—1280 (2001); eingegangen am 10. September 2001 
  Published    2001 
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 TEI-XML for    default:Reihe_B/56/ZNB-2001-56b-1271.pdf 
 Identifier    ZNB-2001-56b-1271 
 Volume    56 
183Author    Wolfgang Jeitschko, LudgerJ. Terbiichte, Ute Ch, RodewaldRequires cookie*
 Title    Ternary Rare Earth and Uranium Nickel Arsenides Lw2NiAs2 (Ln = Tb -Yb), LwNiAs {Ln = La -Nd, Sm, Gd, Dy -Yb), and UNiAs  
 Abstract    The new compounds TnbNiAsa and Yb2NiAs2 crystallize with a hexagonal structure similar to that reported for Zr2NiAs2. It was refined for Tm2NiAs2 from single-crystal X-ray data in the polar space group P63mc\ a = 408.4(1), c = 1374.2(3) pm, R = 0.044 for 176 structure factors and 16 variable parameters. The compounds L«2NiAs2 (Ln = Tb -Er) are confirmed to crystallize with an analogous structure from X-ray powder data. In contrast to the earlier structure refinement of Zr2NiAs2 in the higher-symmetric space group P 63/mmc, where the honeycomb layers of nickel and arsenic atoms are described as planar, these layers are puckered in Tm 2N iAs2. These compounds are expected to undergo a displacive phase transition, with the centrosymmetric space group P6i/m m c to be correct at high temperature. Since the room temperature structure is polar, these compounds might be classified as ferroelectric from a symmetry point of view. The equiatomic title compounds LnNiAs and UNiAs crystallize with a related hexagonal structure corresponding to a superstructure of the AIB2 type with lattice constants varying between a = 416.2(1), c = 1636.1(4) pm for LaNiAs and a = 401.9(2), c = 1488.5(5) pm for YbNiAs. The crystal chemistry of these hexagonal structures is briefly discussed. Using oxidation numbers chemical bonding in the lanthanoid containing compounds may be rationalized with the formulas (Ln+3)2N i(As_3)2 and Ln+3N iA s~3, thus suggesting semiconducting behavior. 
  Reference    Z. Naturforsch. 56b, 1281—1288 (2001); received August 12 2001 
  Published    2001 
  Keywords    Rare Earth Compounds, Arsenides, Displacive Phase Transition 
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 TEI-XML for    default:Reihe_B/56/ZNB-2001-56b-1281.pdf 
 Identifier    ZNB-2001-56b-1281 
 Volume    56 
184Author    Paul-Gerhard Lassahn3, Christoph Janiak3, Jae-Seung OhbRequires cookie*
 Title    Borane Activators for Nickel Catalysts for Olefin Polymerization  
 Abstract    Polymerization, Norbomene, Cocatalyst Activation of Ni(acetylacetonate)2 and Ni(2-ethylhexanoate)2 with B(C6Fs)3 and BtC öFs^/ triethylaluminium leads to highly active catalyst systems for the vinyl polymerization of nor­ bomene. 
  Reference    Z. Naturforsch. 56b, 1289—1292 (2001); received August 8 2001 
  Published    2001 
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 Identifier    ZNB-2001-56b-1289 
 Volume    56 
185Author    Herbert Schumann, Susanne StenzRequires cookie*
 Title    Carbonyl(diphenylcyclopentadienyl)-und Carbonyl(tetraphenylcyclopentadienyl)rhodium(I) Komplexe Carbonyl(diphenylcyclopentadienyl)-and Carbonyl(tetraphenylcyclopentadienyl)rhodium(I) Complexes  
 Abstract    (Diphenylcyclopentadienyl)rhodium Complexes, (Tetraphenylcyclopentadienyl)rhodium Complexes [Rh(CO)2Cl]2 reacts with 1,3-diphenylcyclopentadienyl sodium or tetraphenylcyclopen-tadienyl sodium with formation of (l,3 -P h2C5H 3)R h(CO)2 (1) or (C5HPh4)Rh(CO)2 (2), respectively. The reaction of 1 or 2 with PPh3 yields the corresponding carbonyl-(cyclopentadienyl)(triphenylphosphane)rhodium complexes (l,3 -P h 2C 5H 3)R h(CO)(PPh3) (3) or (C5HPh4)Rh(CO)(PPh3) (4). The 'H and ' C reported and discussed. 
  Reference    Z. Naturforsch. 56b, 1293—1296 (2001); eingegangen am 7. September 2001 
  Published    2001 
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 TEI-XML for    default:Reihe_B/56/ZNB-2001-56b-1293.pdf 
 Identifier    ZNB-2001-56b-1293 
 Volume    56 
186Author    Elena Bermejo3, Alfonso Castiñeiras3, LarissaM. Fostiakb, Isabel García3, AntonioL. Llamas-Saizc, JohnK. Swearingenb, DouglasX. WestdRequires cookie*
 Title    Synthesis, Characterization and Molecular Structure of 2-Pyridyl-formamide N(4)-Dimethylthiosemicarbazone and Some Five-Coordinated Zinc(II) and Cadmium(II) Complexes  
 Abstract    2-Pyridyl-formamide, Thiosemicarbazones, Zinc Sodium in dry methanol reduces 2-cyanopyridine in the presence of N(4)-dimethylthiosemi-carbazide to produce 2-pyridyl-formamide N(4)-dimethylthiosemicarbazone, HAm4DM. Com­ plexes with zinc(II) and cadmium(II) of formulae [M(Am4 DM)(OAc)]2 and [M(HAm4DM)X2] (M = Zn or Cd, X = Cl, Br or I) have been prepared and characterized by spectro­ scopic techniques. In addition, the crystal structures of HAm4DM, [Zn(HAm4 DM)Br2], and [Cd(HAm4 D M)l2] DMSO have been solved. HAm4DM is in the zwitterionic form with a hydrogen bonding interaction between the iminium hydrogen and the thiolato sulfur atom. Co­ ordination of the neutral thiosemicarbazone ligand is via the pyridyl nitrogen, imine nitrogen and thione sulfur atoms, while the anionic ligand in [M(Am4DM)(OAc)]2 coordinates with the same two nitrogen atoms and a thiolato sulfur atom. The [M(HAm4 D M)X 2] complexes are 5-coordinate with the tridentate thiosemicarbazone and two halogen ligands approaching a square pyramidal stereochemistry. 
  Reference    Z. Naturforsch. 56b, 1297—1305 (2001); received August 27 2001 
  Published    2001 
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 Identifier    ZNB-2001-56b-1297 
 Volume    56 
187Author    Gülsün Gökağaç3, Jean-Michel Legerb, Francoise HahnbRequires cookie*
 Title    Effect of a Thermal Treatment on the Activity of Carbon-Supported Pt, Pt+W and Pt+Mo Electrocatalysts for Methanol Oxidation Reactions  
 Abstract    Previous studies on carbon supported Pt, Pt+W and Pt+Mo indicated that Pt+Mo was the most active electrocatalyst at low potentials and that Pt+W has similar properties as pure Pt in methanol oxidation. Those samples were thermally treated at 900 °C in a hydrogen gas atmosphere for 6 hours to observe the effect on metal particle sizes and on their distribution on carbon support. It was found that thermally treated Pt+Mo/XC-72 remains the most active catalyst at all potentials compared to the other heated samples. The heat treatment caused the sintering of small particles leading to a decrease in activity of the catalysts except Pt+Mo/XC-72. The heat treated samples were characterised by voltammetry, X-ray diffraction, transmission electron microscopy and energy dispersive X-ray analysis techniques. The methanol oxidation reaction was followed by in-situ FTIR spectroscopy to identify products and adsorbed species on the surface of electrode. 
  Reference    Z. Naturforsch. 56b, 1306—1314 (2001); received May 8 2001 
  Published    2001 
  Keywords    Methanol Oxidation, Infrared Reflectance Spectroscopy, Carbon-Supported Catalysts 
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 Identifier    ZNB-2001-56b-1306 
 Volume    56 
188Author    A. Elmali, E. Kavlakoglu, Y. ElermanRequires cookie*
 Title    The Synthesis and Crystal Structure of a Dinuclear /x-Pyrazolato-N,N'-Bridged Dinickel(II) Complex of l,3-Bis(2-hydroxy-4-methoxybenzylideneamino)propan-2-ol  
 Abstract    Dinuclear Nickel(II) Complex, Binucleating Ligand The asymmetric unit of crystal of the title compound, [Ni2(L)(C3H 3N 2)j (L = 1,3-Bis(2-hydroxy-4-methoxybenzylideneamino)propan-2-ol, C3H 3N 2 = pyrazolate) contains two inde­ pendent dinickel(II) complexes. In both molecules, the nickel(II) ions are bridged by the alkoxo group of the ligand and the N atoms of the pyrazolate group. Each nickel(II) ion is coordinated by two N and two O atoms, forming a square with trans-N 20 2 geometry. 
  Reference    Z. Naturforsch. 56b, 1315—1318 (2001); received August 20 2001 
  Published    2001 
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 Identifier    ZNB-2001-56b-1315 
 Volume    56 
189Author    R. Bartsch, M. Freytag, S. Goller, R. G. Jones, R. SchmutzlerRequires cookie*
 Title    Improved Synthetic Route to Unsymmetrically Substituted Phosphinimino-phosphonium Salts. Crystal Structure of Tri-w-butyl- [tris(diethylamino)phosphinimino]phosphonium Chloride  
 Abstract    Phosphonium Salt, Imine Salt The title compound was prepared from tri-«-butyl-chlorophosphonium chloride and N-tri-methylsilyl-tris(diethylamino)-phosphinimine. A low temperature X-ray crystal structure de­ termination revealed PN bond lengths of 156.1(2) and 158.0(2) pm, with a PNP angle of 149.36(17)°. 
  Reference    Z. Naturforsch. 56b, 1319—1321 (2001); received August 1 2001 
  Published    2001 
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 Identifier    ZNB-2001-56b-1319 
 Volume    56 
190Author    NorbertA. Harringer, Andreas Kolb, KurtO. KleppRequires cookie*
 Title    Na2ZrSe3, ein neues Chalcogenometallat(IV) mit Schichtstruktur Na2ZrSe3, a New Chalcogenometallate(IV) with a Layered Structure  
 Abstract    Orange red crystals of Na2ZrSe3 were obtained by the reaction of Na2Se, Zr and Se at 800 °C. The new compound is monoclinic, s. g. C2/m with a = 6.952(2), b = 12.01(1), c = 7.257(2) A, ß = 108.81(2)°, Z = 4. Its crystal structure was determined from single crystal diffractometer data (Mo-KQ-radiation) and refined to a conventional R of 0.016. It is characterized by layers based on a distorted ccp packing of Se-atoms where all metal atoms occupy octahedral voids in an ordered fashion. Zr atoms are located on the nodes of a 6 3-net forming CrCl3 type selenozirconate layer (d(Zr-Se) = 2.702 A). 
  Reference    Z. Naturforsch. 56b, 1322—1324 (2001); eingegangen am 30. August 2001 
  Published    2001 
  Keywords    Complex Chalcogenides, Selenides, Zirconium 
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 TEI-XML for    default:Reihe_B/56/ZNB-2001-56b-1322.pdf 
 Identifier    ZNB-2001-56b-1322 
 Volume    56 
191Author    Lucia Balázs, HansJoachim Breunig, Tamara Krüger, Enno LorkRequires cookie*
 Title    Bildung und Struktur von Tris(diphenylstibino)amin Formation and Structure of Tris(diphenylstibino)amine  
 Abstract    Tris(stibino)amine, Nitrogen Configuration Tris(diphenylstibino)amine (Ph2Sb)3N (1) is formed in 49.5% yield by ammonolysis of Ph2SbCl in liquid NH3, and as a side product of the synthesis o f Ph4Sb2 by reactions of Ph3Sb with N a and BrCH2CH2Br in liquid NH3. The structure of 1 was determined by single crystal X-ray diffraction. The crystals consist of molecules with an almost planar Sb3N core (sum of the angles at nitrogen: 352.14°). 
  Reference    Z. Naturforsch. 56b, 1325—1327 (2001); eingegangen am 5. September 2001 
  Published    2001 
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 Identifier    ZNB-2001-56b-1325 
 Volume    56 
192Author    Gerd Renner, Gottfried Hüttner, Peter Rutsch, ProfH. Dr, -GRequires cookie*
 Title    Synthese und Struktur oxoverbrückter, M(CO)5 geschützter Hexa-Germanium-Käfigverbindungen Synthesis and Structure of Oxo-Bridged, M (CO)5 Protected Hexagermanium Cage Compounds  
 Abstract    Na2[M2(CO)10] and GeCl4 react to give the compounds [(CO)5MGeCl3]_ , la -lc (M = Cr, 
  Reference    Z. Naturforsch. 56b, 1328—1339 (2001); eingegangen am 6. August 2001 
  Published    2001 
  Keywords    Cage Compounds, Germanium-oxo Cages, Germanium-Transition Metal Bonds 
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 TEI-XML for    default:Reihe_B/56/ZNB-2001-56b-1328.pdf 
 Identifier    ZNB-2001-56b-1328 
 Volume    56 
193Author    MathiasS. Wickleder, Oliver BüchnerRequires cookie*
 Title    The Gold Sulfates M Au(S04)2 (M = Na, K, Rb)  
 Abstract    , 2001 Gold, Sulfate, Alkali Metals The evaporation of a solution of Au(OH)3 and Na2SC>4 in conc. sulfuric acid led to yellow single crystals of NaAu(S04)2 (monoclinic, P2\/n, Z = 2, a = 469.1, b = 845.9, c = 831.2 pm, ß = 95.7°). Analogous procedures with K2SO4 or Rb2SC>4 instead of Na2SC>4 yielded single crystals of KAu(SC>4)2 (monoclinic, Cite, Z = 4, a = 1109.8, b = 724.2, c = 941.1 pm, ß = 118.4°) and RbAu(S04)2, respectively, (triclinic, PI, Z -1, a = 423.6, b -497.5, c = 889.0 pm, a = 76.4°, ß = 88.4°, 7 = 73.5°). Although the crystal structures of the three sulfates are not isotypic they show similar structural features: The gold atoms are coordinated by four oxygen atoms in a square planar manner. These oxygen atoms belong to four SC>42_ ions which link the [AUO4] units to infinite chains according to c^,[Au(S04)4/ 2]_ . These chains are connected via the monovalent cations which show coordination respectively. 
  Reference    Z. Naturforsch. 56b, 1340—1343 (2001); received September 10 
  Published    2001 
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 Identifier    ZNB-2001-56b-1340 
 Volume    56 
194Author    Jörg Fleischhauer3, Sven Gabriel3, A.Ndreas Job3, D. Ieter Enders3, Axel WollmerbRequires cookie*
 Title    CD-Spectroscopic Investigations for the Determination of the Absolute Configuration of (4/?,6S,7S)-Serricomin  
 Abstract    The absolute configuration of the conformationally flexible (4i?,6S,7S)-serricornin, a non­ natural isomer of the female-produced sex pheromone of the cigarette beetle (Lasioderma serricorne), was determined by comparison of measured and calculated circular dichroism spectra. The rotational strengths were calculated by means of the semiempirical CNDO/2S-method. The total synthesis was accomplished by the SAMP/RAMP-hydrazone method. 
  Reference    Z. Naturforsch. 56b, 1344—1348 (2001); received July 26 2001 
  Published    2001 
  Keywords    Serricornin, CD Spectra, Absolute Configuration 
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 TEI-XML for    default:Reihe_B/56/ZNB-2001-56b-1344.pdf 
 Identifier    ZNB-2001-56b-1344 
 Volume    56 
195Author    ThomasJ. Zimmermann, ThomasJ J MüllerRequires cookie*
 Title    Electrolysis of Tetrakis(4-iV,./V-dimethylammophenyl)methane -Fragmentation of a Tetraarylmethane under Oxidative Conditions  
 Abstract    Upon anodic oxidation tetrakis(4-A^,Ar-dimethylaminophenyl)methane (3) fragments to give the stable species crystal violet (6), N,N,N',N'-and Michler' s hydrol blue (12) that can be readily absorption bands. 
  Reference    Z. Naturforsch. 56b, 1349—1353 (2001); received August 31 2001 
  Published    2001 
  Keywords    Cyclic Voltammetry, Redox Chemistry, Tetraarylmethanes 
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 TEI-XML for    default:Reihe_B/56/ZNB-2001-56b-1349.pdf 
 Identifier    ZNB-2001-56b-1349 
 Volume    56 
196Author    G. Erhard, N. Schrauzer, JohnG. PalmerRequires cookie*
 Title    The Chemical Evolution of a Nitrogenase Model, XXIY. Correlational Analysis of Effects of Organic Acids on in vitro MoFe-Protein Substrate Reduction Activities  
 Abstract    Nitrogenase, Organic Acids, Mechanism of Action Among 29 organic acids whose effects on the in vitro enzymatic substrate reducing activity on the MoFe-protein of nitrogenase have been investigated, 12 acids stimulate the in vitro C2H2-reducing activities in proportion to the H +-reducing activities. A second group com­ prised of eight acids significantly stimulates the H +-reducing activity but has only modest stimulatory effects on C2H2-and N2-reducing activities. A third group of nine acids causes only slight increases of MoFe-protein substrate reducing activities. The stimulatory effects of acids on MoFe-protein substrate reducing activity depend on their mode of interaction with molybdenum. Hydroxycarboxylic acids acting as bidentate ligands such as homocitric acid and its derivatives leave a sufficient number of molybdenum coordination sites available for interactions with the substrates, they have the highest stimulatory effects both on the C2H2-and N2-reducing activities, and their H+-reducing activities are not inhibited by CO. Acids acting as tridentate ligands, which include citric acid, have weaker stimulatory effects on the C2H2-and especially on the N 2-reducing activities, and CO inhibits their H+-reducing activity. Whereas with the first group of acids the C2H2-reducing activities are linearly correlated with H+-reducing activities, the N2-reducing activities are directly correlated with H+-reduc-ing activities in the presence o f CO, and the association is exponential rather than linear. This exponential dependence is consistent with a stepwise mechanism of nitrogen reduction via diazene and hydrazine as the intermediates, the latter blocking one molybdenum coordina­ tion site prior to its reduction to NH3. In the reduction of C2H2 to C2H4, no such blockage occurs as product C2H4 does not accumulate at the active site and is not reduced further. 
  Reference    Z. Naturforsch. 56b, 1354—1359 (2001); received June 5 2001 
  Published    2001 
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 Identifier    ZNB-2001-56b-1354 
 Volume    56 
197Author    R. Obert Weiss, Frank PühlhoferRequires cookie*
 Title    Electrostatic Activation of SNAr-Reactivity by Sulfonylonio Substituents  
 Abstract    Electrostatic Effects, Polycations 4-Fluorobenzenesulfonyl chloride (1) and pentafluorobenzenesulfonyl chloride (2) are transformed into the corresponding N-sulfonylpyridinium triflates 4a-d by treatment with one equivalent of the reagent pair L/TMSOTf (L = 4-dimethylaminopyridine (DMAP), 4-ferf-butylpyridine (TBUPY), 1-methylimidazole (NMI); TMSOTf = trimethylsilyl triflate). Due to the electrostatic effect of the sulfonylonio function, SNAr reactions on these systems can be performed under mild conditions. So the reaction of 2 with excess DMAP/TMSOTf leads by way of peronio substitution to hexakis[(4-dimethylamino)-l-pyridinio]benzene hexa-kis(trifluoromethansulfonate) (7) [22] at room temperature. Additionally, a new reaction path to 4-(l-pyridinio)-substituted benzenesulfonamides, a class of pharmaceutically interesting substances, is shown. 
  Reference    Z. Naturforsch. 56b, 1360—1368 (2001); eingegangen am 6. August 2001 
  Published    2001 
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 Identifier    ZNB-2001-56b-1360 
 Volume    56 
198Author    Jarkko Pietikäinen3, RistoS. Laitinena, Jari Konua, Jussi ValkonenbRequires cookie*
 Title    Formation and Crystal Structure of Polymeric (MeTeCl3)"  
 Abstract    Tellurium Chlorides, Polymeric (MeTeCL)« The reaction of hexamethyldisilane with tellu­ rium tetrachloride in carbon disulfide afforded polymeric (MeTeCl3)" (1) that was characterized by TOF ES mass spectroscopy, 125Te NMR spectroscopy, and X-ray crystallography. Pale brown, air-and moisture-sensitive crystals of 1 are monoclinic, space group P2x/n with a = 1030.69(5), b = 643.61(2), c = 1041.68(5) pm, ß = 119.236(5)°, V = 0.60299(5) nm3, and Z = 4. The crystal structure consists of infinite helical chains of the MeTeCl3 units linked by bridging chlorine atoms. The polymeric chains are linked together by Te -Cl and C1--C1 close contacts. The pos­ sible routes for the formation of (MeTeCl3)" are discussed. 
  Reference    Z. Naturforsch. 56b, 1369—1372 (2001); received September 5 2001 
  Published    2001 
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 Identifier    ZNB-2001-56b-1369_n 
 Volume    56 
199Author    Bernd Wrackmeyer, HeidiE. Maisel, Max HerberholdRequires cookie*
 Title    N-Ferrocenyl Amines Bearing Boryl and Silyl Substituents at the Nitrogen Atom, Studied by 57Fe NMR Spectroscopy  
 Abstract    A series of ferrocene sandwich compounds such as N-ferrocenyl amine, F c-N H 2 (1), the N-silylated derivatives F c-N H -S iM e3 (2), F c 
  Reference    Z. Naturforsch. 56b, 1373—1375 (2001); received September 19 2001 
  Published    2001 
  Keywords    Ferrocenes, Aminosilanes, Aminoboranes 
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 TEI-XML for    default:Reihe_B/56/ZNB-2001-56b-1373_n.pdf 
 Identifier    ZNB-2001-56b-1373_n 
 Volume    56 
200Author    Wolfgang Beck, ThomasM. KlapötkeRequires cookie*
 Title    and IR Frequencies of the Anionic Fulminate Complexes [Co(CNO)6]3-, [Ni(CNO)4]2-, [Zn(CNO)4]2-, [Pt(CNO)4]2", [Au(CNO)2] ' and [Hg(CNO)4]2  
 Abstract    The structural parameters and IR frequencies of the following anionic fulminate complexes were computed at the density functional BPW91 level of theory using a 6-31++G(2d) basis for C, N, O, Co, Ni, and Zn and quasi-relativistic ECP60MWB core potentials for Pt, Au and Hg: [Co(CNO)6]3-(Oh), [Ni(CNO)4]2-(D 4h), [Zn(CNO)4]2-(Td), [Pt(C N 04]2-(D 4h), [Au(CNO)2]~ (£>xh) and [Hg(CNO)4]2-(Td). The structures were optimised within the symmetries stated above and were found to represent true minima (number of imaginary frequencies, NIMAG = 0). The agreement between the calcu­ lated structural parameters and characteristic asymmetric and symmetric CNO stretching fre­ quencies is very good for all complexes. 
  Reference    Z. Naturforsch. 56b, 1376—1378 (2001); received October 16 2001 
  Published    2001 
  Keywords    DFT Calculations, Fulminate Complexes, IR Spectra 
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 TEI-XML for    default:Reihe_B/56/ZNB-2001-56b-1376_n.pdf 
 Identifier    ZNB-2001-56b-1376_n 
 Volume    56 
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