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2001[X]
41Author    VeliT. KasumovRequires cookie*
 Title    Oxovanadium(IV), Nickel(II) and Palladium(II) Complexes of Tridentate Salicylaldiminates Derived from 2,4-Di-terMmtyl-6-aminophenol  
 Abstract    Several new binuclear nickel(II), oxovanadium(IV) and palladium(II) complexes (MLX) of tridentate salicylaldimines (LX H2) obtained from substituted salicylaldehydes and 2,4-di-tert-butyl-6-aminophenol, as well as mononuclear nickel(II) and oxovanadium(IV), MQx nH20, complexes with hydrogenated LX H2 ligands (QXH2) have been prepared and their spectroscopic, magnetic and catalytic activity (for PdLx) have been investigated. NiLx and VOLx complexes when dissolved in pyridine, take up three or two pyridine molecules to form six coordinated complexes, respectively. The Ni(II) and VO(IV) complexes obtained from QXH2 can be formu­ lated as NiQx-3H20 and VOQx H2O. All VO(IV) complexes have been characterized by ESR parameters. It has been found that some PdLx complexes without any preliminary activation, in EtOH, THF and DMF exhibit high catalytic activity in the hydrogenation of nitrobenzene or cyclohexene at room temperature and at 30 -40 °C under 760 torr H2. When this reaction has been carried out in the ESR cavity at room temperature the triplet of 12 line multiplets due to the nitroxyl type coordinated radical (g = 2.013, AN = 10 G, A = 0.8 G) was detected. 
  Reference    Z. Naturforsch. 56b, 263—270 (2001); received July 27 2000 
  Published    2001 
  Keywords    Tridentate Salicylaldiminates, ESR, Catalytic Activity 
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 Identifier    ZNB-2001-56b-0263 
 Volume    56 
42Author    Ingo Pantenburg, Karl-Friedrich TebbeRequires cookie*
 Title    Untersuchungen an Polyhalogeniden, XXXXII [1]. Das Pentaiodid-Ion I5-; Eine Übersicht: Darstellung und Kristallstruktur der Verbindung [Rb(C16H2406)](I5) H20 Studies on Polyhalides, XXXXII [1]. The Pentaiodide-Ion I5~; an Overview: Preparation and Crystal Structure of [Rb(C16H240 6)](I5) H 20  
 Abstract    Crown Ether, Pentaiodide, Polyiodides [Rb(benzo-18-crown-6)](I5) H20 could be prepared by the reaction of benzo-18-crown-6, rubidium iodide, and iodine in ethanol / dichloromethane. It crystallizes in the monoclinic space group P2j/a with a = 1881.8(3), b = 1439.0(2), c = 2269.0(3) pm, ß = 111.24(1)° and Z = 8. The crystal structure was refined to Rv = 0.038 for 5310 reflections. It contains two independent molecules. The two cations and the coordinating water molecules form a zigzag chain running along [100] paralleled by two structurally similar pentaiodide chains with one leg of the V-shaped pentaiodide ion forming the backbone of the chain. In both cases the other leg stands out in a novel fashion without forming a coplanar cis or trans configuration known from other pentaiodides. Anionic motifs of other crystalline pentaiodides are summarized and discussed. E in leitu n g 
  Reference    Z. Naturforsch. 56b, 271—280 (2001); eingegangen am 4. Dezember 2000 
  Published    2001 
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 Identifier    ZNB-2001-56b-0271 
 Volume    56 
43Author    Ceyhan Kayran, Eser OkanRequires cookie*
 Title    Kinetics of the Substitution of Norbornadiene in Tetracarbonyl(norbomadiene)molybdenum(0) by 2,2'-Bipyridine  
 Abstract    The kinetics of the thermal substitution of norbornadiene (nbd) by 2,2'-bipyridine (2,2'-bipy) in (CO)4Mo(CyH9) was studied by quantitative FT-IR and UV-VIS spectroscopy. The reaction rate exhibits first-order dependence on the concentration of the starting complex, and the observed rate constant depends on the concentration of both leaving nbd and entering 2,2'-bipy ligand. The mechanism was found to be consistent with the previously proposed one, where the rate determining step is the cleavage of one of the two Mo-olefin bonds. The reaction was performed at four different temperatures (35 -50 °C) and the evaluation of the kinetic data gives the activation parameters which now support states. 
  Reference    Z. Naturforsch. 56b, 281—286 (2001); received November 23 2000 
  Published    2001 
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 Identifier    ZNB-2001-56b-0281 
 Volume    56 
44Author    Wilhelm Klein, Martin Jansen, Sonderdruckanforderungen An, ProfM. Dr, Jansen, FonRequires cookie*
 Title    New Ionic Ozonides with Cations Suitable for Phase Transfer  
 Abstract    3P)2N ]0 3 und [(((CH3)2 N)3 PN)4 P]0 3 , neue ionische Ozonide mit Phasentransfer-geeigneten Kationen [((C6H5)3P)2N] 0 3 and [(((CHß^N^PN^PJOß, Ionic Ozonides, Phase Transfer Ionic ozonides soluble in organic solvents have been synthesized. The crystal structures of bis(triphenylphosphine)iminium-ozonide bis(dimethylamine) (1/2) (P2[/c, a = 969.9(2) pm, b = 2007.1(3) pm, c = 1852.4(4) pm, Z = 4, R x = 14.34%, 3343 independent reflecti­ ons), tetrakis[tris(dimethylamino)phosphoranylidenamino]phosphonium-ozonide (P2,/n, a = 1120(1) pm, b = 3192(5) pm, c = 1162(1) pm, Z = 4, Rx = 9.18%, 1428 independent reflections) and tetrakis[tris(dimethylamino)phosphoranylidenamino]phosphonium-ozonide dimethylami-ne (1/1) (Pbcn, a = 1080.9(6) pm, b = 3560(5) pm, c = 1154(2) pm, Z = 4, R { = 12.22%, 2624 independent reflections) have been solved. While these ozonides react with ethers and nitriles, stable solutions in amines and CH2C12 have been obtained. 
  Reference    Z. Naturforsch. 56b, 287—292 (2001); eingegangen am 20. November 2000 
  Published    2001 
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 Identifier    ZNB-2001-56b-0287 
 Volume    56 
45Author    Wolfgang Beck, FrauRequires cookie*
 Title    Metallkomplexe mit biologisch wichtigen Liganden, CXXXIII [1], a-Aminocarboxylat-Chelate von cyclometallierten Rhodium-Komplexen Metal Complexes of Biologically Important Ligands, CXXXIII [1]. a-Aminocarboxylate Chelates of Cyclometalated Rhodium Complexes Andreas Böhm, Kurt Polbom [2]  
 Abstract    The chloro bridged complexes [(2-phenylpyridine-C,N)2RhCl]2 and [(benzo[h]chinoline-C,N)2RhCl]2 react with the anions of alanine, valine and phenylalanine to give the chiral octahedral N,0-chelates L2Rh(a-aminocarboxylate) (1 -5) as mixtures of two diastereoisomers. The complex (benzo[h]chinoline-C,N)2Rh[(S)-NH2CH(CH3)C 0 2-N,0] was characterized by X-ray diffraction. Its crystals contain two diastereoisomers in the unit cell. 
  Reference    Z. Naturforsch. 56b, 293—296 (2001); eingegangen am 5. Januar 2001 
  Published    2001 
  Keywords    Rhodium, a-Aminocarboxylate, Cyclometalated Complexes 
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 TEI-XML for    default:Reihe_B/56/ZNB-2001-56b-0293.pdf 
 Identifier    ZNB-2001-56b-0293 
 Volume    56 
46Author    G. C. Papavassiliou3, Yohji Misakib, Kazuko Takahashic, Jun-Ichi Yamadad, G. A. Mousdis3, Takashi Sharahatac, Toshihiro IsecRequires cookie*
 Title    New 7r-Donor Molecules with a Pyrazino Group and their Conducting Salts  
 Abstract    The preparation and characterization of some 7r-donors with a pyrazine-edge-group as well as with tetrathiapentalene-, thiophene-, and dihydrobenzoselenophene-spacer-groups are de­ scribed. Some of these donors give conducting charge transfer complexes with TCNQ and/or cation radical salts with I3-, BF4-and PF6-as counter anions. In tro d u c tio n 
  Reference    Z. Naturforsch. 56b, 297—300 (2001); received December 4 2000 
  Published    2001 
  Keywords    7r-Donors, Charge Transfer Complexes, Organic Conductors 
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 Identifier    ZNB-2001-56b-0297 
 Volume    56 
47Author    ThomasM. Klapötke, Thomas SchüttRequires cookie*
 Title    Synthesis, Characterization, Crystal Structure and hybrid DFT Computation of the Chlorooxoarsenate(III), [NM e^Iy^C^Cljo] * 2 CH3CN  
 Abstract    Arsenic, Chlorooxoarsenate(III), NBO Analysis [NMe4 ]2 [As4 0 2 Clio] • 2 CH3CN was recovered by the reaction of [NMe4][N3] with AsCh in CH3CN under aerobic conditions. This compound was also obtained directly by the reaction of AsCb, AS2O3 and [NMe4][Cl] in acetonitrile. The structure was determined by X-ray diffraction. [NMe4 ]2 [As4 0 2Clio] • 2 CH3CN crystallizes in theoorthorhombic space group Fmmm with a = 11.4144(8), b = 14.732(1) and c = 19.803(2) A, with 4 formula units per unit cell. The frequencies obtained by Raman and infrared spectroscopy were assigned to the normal modes of the [As4 0 2 Cliol2~ anion in comparison with computational results. The bonding situation in the [As4 0 2 C1io]'~ anion was elucidated on the basis of an NBO analysis on the crystallographic data. 
  Reference    Z. Naturforsch. 56b, 301—305 (2001); received January 11 2001 
  Published    2001 
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 Identifier    ZNB-2001-56b-0301 
 Volume    56 
48Author    Wolfgang Petz, Bernhard Neumüller, Jörg Lorberth, Klaus Megges, Werner MassaRequires cookie*
 Title    Reaktionen  
 Abstract    von C(NMe2)4 mit Carbonylverbindungen der 6. Gruppe. Kristallstrukturen von [C(NMe2)3][(C0)5CrC(0)NMe2], [C(NMe2)3]2[Mo2(CO)10] und [C(NMe2)3][(CO)4M o(02CNMe2)] Reactions of C(NMe-,)4 with Group 6 Carbonyl Compounds. Crystal Structures of [C(NMe2)3][(C 0)5CrC(0)NMe2], [C(NMe2)3]2 [Mo2(CO)10] and [C(NMe2) 3 ][(CO)4 M o(0 2 CNMe2)] The reaction of C(NMe2)4 (1) with M(CO)6 (M = Cr, W) in THF solution leads to the anionic carbamoyl complexes [C(NMe2)3][(C0)5MC(0)NMe2] (2a, M = Cr; 2c M = W). In the case of M = Mo the resulting complex 2b is not obtained; instead, the salts [C(NMe2)3]2[Mo2(CO)10] (3) and [C(NMe2)3][(CO)4M o(02CNMe2)] (4) are isolated. The crystal structures of 2a, 3, and 4 are presented. In the salt-like compounds no interatomic contacts between anion and cation exist, and the cations are disordered. The structure of 4 shows two independent molecules. The compounds were further characterized by IR and NMR spectroscopy. 
  Reference    Z. Naturforsch. 56b, 306—314 (2001); eingegangen am 22. Dezember 2000 
  Published    2001 
  Keywords    Carbamoyl Compounds, Orthoamide, Guanidinium Cation 
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 Identifier    ZNB-2001-56b-0306 
 Volume    56 
49Author    H.C K Reb S3, P. J. Schilling3, R. W. Artchow, M. B. OltecRequires cookie*
 Title    Quassinoids and Other Constituents from Picrasma crenata  
 Abstract    , 2000 Picrasma crenata, Simaroubaceae, Quassinoids Two new, 16-/?-0-methylneoquassin and 16-ß-O-ethylneoquassin, and four known quassi­ noids have been isolated together with coniferyl aldehyde, coniferin, cantin-6-one, 4,5-di-methoxycantin-6-one and (+)-neo-olivil from the wood of Picrasma crenata. Their structures were determined on basis of spectroscopic and X-ray analysis. 
  Reference    Z. Naturforsch. 56b, 315—318 (2001); received September 1 
  Published    2001 
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 Identifier    ZNB-2001-56b-0315 
 Volume    56 
50Author    Requires cookie*
 Title    Modes of Xanthine Complexation to Dirhodium Tetrakis[(/?)-«-methoxy-«- (trifluoromethyl)-phenylacetate] in Solution and in the Solid State  
  Reference    Z. Naturforsch. 56b, 319 (2001) 
  Published    2001 
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 Identifier    ZNB-2001-56b-0319 
 Volume    56 
51Author    Z. NaturforschRequires cookie*
 Title    Total Synthesis of S-(+)-Argentilactone  
 Abstract    M uham m ad S aeed3, M uham m ad A b b a s3, K halid M oham m ad K hanb, and W olfgang V oelter3 Argentilactone, Carbohydrate Templates, Asymmetrie Total Synthesis Asymmetrie total synthesis of S-(+)-argentilactone (2) was accomplished, using methyl-a-D-glucopyranoside (3) as carbohydrate template. Benzylidene acetal 5 was hydrolysed with fBuOOH/AlCl3 and further manipulated to produce the aldehyde 10. A Wittig reaction and subsequent oxidation of the anomeric position yielded the target argentilactone. 
  Reference    Z. Naturforsch. 56b, 325—328 (2001); received December 16 2000 
  Published    2001 
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 Identifier    ZNB-2001-56b-0325 
 Volume    56 
52Author    H. Bosholma, S. Oppermann3, DäbritzbRequires cookie*
 Title    Chemischer Transport intermetallischer Phasen IV: Das System Fe -Ge Chemical Vapour Transport of Intermetallic Phases IV: The System Fe -Ge O  
 Abstract    Chemical Vapour Transport, Phase Diagram Six phases exist in the binary system iron-germanium Fe3Ge, ß, r7, Fe6Ge5, FeGe and FeGe2. All phases could be prepared by chemical transport with iodine as transport agent in the temperature range between T x (600 °C) and T2 (950 °C). Two phase diagrams have been known in the literature from specific experiments of chemical vapour transport. It is now possible to decide which phase diagram is the most valid description. 
  Reference    Z. Naturforsch. 56b, 329—336 (2001); eingegangen am 15. Januar 2001 
  Published    2001 
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 Identifier    ZNB-2001-56b-0329 
 Volume    56 
53Author    EvaS. Schmidt, Annette Schier, NorbertW. Mitzel, Hubert SchmidbaurRequires cookie*
 Title    A Simple High-Yield Synthesis of Gallium(I) Tetrachlorogallate(III) and the Reaction of Digallium Tetrachloride Tetrahydrofuran Solvate with 1,2-Diols  
 Abstract    Gallium(I) tetrachlorogallate(III) Ga[GaCU] was prepared in quantitative yield by thermal de­ composition of dichlorogallane [HGaChk, which is readily available from EtsSiH and [GaCl3]2. The reaction of catechol with solutions of this gallium(I) tetrachlorogallate(III) in tetrahydro­ furan leads to the evolution o f hydrogen gas and affords a dinuclear gallium(III) complex with penta-coordinate metal atoms chelated and bridged by mono-deprotonated catechol ligands. In the crystalline phase tetrahydrofuran molecules are hydrogen-bonded to the hydroxy groups: [G a(l,2 -0 CöH4 0 H)Cl2(C4H8 0)]2. The reaction with pinacol also gives hydrogen and the anal­ ogous product [Ga(0 CMe2CMe2 0 H)Cl2(C4Hg0)]2. The structures of the two compounds have been determined by X-ray diffraction. A mechanism of the new reaction has been proposed which involves oxidative addition of the diol to the solvate (THF)Cl2Ga-GaCl2(THF) present in the tetrahydrofuran solution to give a gallium hydride intermediate. 
  Reference    Z. Naturforsch. 56b, 337—341 (2001); received March 23 2001 
  Published    2001 
  Keywords    Gallium Halides, Gallium Diolates, Oxidative Addition 
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 Identifier    ZNB-2001-56b-0337 
 Volume    56 
54Author    Max Herberhold, Silke Gerstmann, Bernd WrackmeyerRequires cookie*
 Title    Ethylboration of Stannyl-Substituted Sulfur Diimides  
 Abstract    Bis(sulfurdiimido)tin compounds of the type R2Sn[(NSN)'Bu]2 [R = Me (2a), Et (2b)] re­ act with triethylborane Et^B by rearrangement and N-ethylation to give the novel amino-borane derivatives R2Sn[N('Bu)SN(Et)BEt2]2 (5a, b), in the same way as "Bu3Sn(NSN)'Bu (1) reacts with Et.^B to give "Bu3Sn[N('Bu)SN(Et)BEt2] (4). In contrast, 2c (R = 'Bu) and tris(sulfurdiimido)tin compounds RSn[(NSN)'Bu]3 [R = Me (3a), "Bu (3d)] react with Et3B mainly by Sn-and S-ethylation, accompanied by extensive decomposition. 'H, "B , 13C, 15N and 119Sn NMR spectroscopy served for the structural assignment in solution. 
  Reference    Z. Naturforsch. 56b, 342—346 (2001); received August 15 2000 
  Published    2001 
  Keywords    Aminoboranes, Organoboration, Sulfur Diimides 
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 Identifier    ZNB-2001-56b-0342 
 Volume    56 
55Author    Antonella Heßler, KonstantinW. Kottsieper, Stefan Schenk, Michael Tepper, Othmar StelzerRequires cookie*
 Title      
 Abstract    tert-Butoxycarbonylaniline, orf/zo-Lithiation, Chlorophosphines The dilithium salt la formed by ortho-metallation of N-terf-butoxycarbonylaniline (BOC-aniline) 1 with two equivalents of ter/-butyllithium reacts with the chlorophosphines Ph3_"PCl" (n = 1 -3) to yield the BOC protected ort/zo-aminophenylphosphines 2 -4 in high yields. On deprotection of 2 -4 with trimethylchlorosilane in the presence of phenol the HC1 adducts of the o/t/zo-aminophenylphosphines 5 -7 are formed which may be deprotonated with KOH or NaOH to give the neutral phosphines 5a -7a. The novel secondary phosphine 8 with two orf/zo-aminophenyl groups is accessible by cleavage of the P-C bond in 7a with metallic lithium and subsequent hydrolysis. The bifunctional P,N ligands 6 or 6a are alternatively accessible by Pd-catalyzed P-C coupling of ortho-iodoaniline with phenylphosphine. If a 1:1 stoichiometry is employed in the coupling reaction of orr/zo-iodoaniline and phenylphosphine the chiral secondary phosphine 9 is formed. 
  Reference    Z. Naturforsch. 56b, 347—353 (2001); received January 12 2001 
  Published    2001 
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 Identifier    ZNB-2001-56b-0347 
 Volume    56 
56Author    Teresa Borowiak3, Irena Wolska3, Herbert Mayrb, Janusz BarancRequires cookie*
 Title    X-Ray Structure4]non-2-ene  
 Abstract    of 6(is)-[2(Z)-(Hydroxyimino)-2-phenylethyIidene]-7,7,8,8,9,9-hexamethyl-3-phenyl-l,2-oxazaspiro[4. The X-ray crystallographic structure of the title compound, a product of a 1,3-dipolar cy­ cloaddition reaction of benzonitrile oxide to 3,3,4,4,5,5-hexamethyl-l,2-bis(methylene)cyclo-pentane, has been determined. Colourless plates crystallize in the orthorhombic space group Pbca with cell dimensions a = 13.698(2), b = 11.836(2), c = 29.157(4) A, V= 4727.2(1.2)A3, Z = 8, 3736 reflections, final R(F) = 0.063 and wR(F2) = 0.166. The crystals are racemic, the molecules of opposite chirality form centrosymmetric dimers via intermolecular hydro­ gen bonds O-H -N between their oxime groups. The molecules are highly strained and the geometrical consequences of the steric strain are discussed. 
  Reference    Z. Naturforsch. 56b, 354—358 (2001); received November 27 2000 
  Published    2001 
  Keywords    1, 3-Dipolar Cycloaddition Product, Oxime, Isoxazoline 
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 Identifier    ZNB-2001-56b-0354 
 Volume    56 
57Author    N. Stock3, G. D. Stuckyb, A. K. CheethamcRequires cookie*
 Title    Synthesis and Characterization of the Manganese Pyroarsenate Mn2As20 7 * 2 H2 O  
 Abstract    Pyroarsenate The manganese pyroarsenate hydrate, Mn2As2Ü 7 • 2 H2O, has been obtained as a single phase product using hydrothermal methods and the structure has been determined by single crystal X-ray diffraction. The title compound crystallizes in the monoclinic space group P2i/n with a = 6.6576(4), b = 14.555(1), c = 7.8147(5) A, ß = 94.935(1)°, V = 754.46(8) A3 and Z = 4. The manganese ions are each coordinated to five oxygen atoms and a water molecule in a distorted octahedral arrangement. Edge-sharing MnC>6 octahedra form chains which are connected to a three-dimensional framework by AS2O74-ions. The pyroarsenate anion, which attains a nearly eclipsed conformation, has a mean As-O distance for the terminal As-O bonds of 1.669(2) A, while for the bridging oxygen atom a mean value of 1.757(2) A is observed. Magnetic susceptibility measurements indicate the presence of high-spin Mn_+ ions. Thermogravimetric as well as IR and Raman spectroscopic studies of Mn2As207 • 2 H2O are presented. 
  Reference    Z. Naturforsch. 56b, 359—363 (2001); received March 6 2001 
  Published    2001 
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 Identifier    ZNB-2001-56b-0359 
 Volume    56 
58Author    Martin Trömel, Sven HübnerRequires cookie*
 Title    Atomvolumen, Atomabstände und chemische Bindung in festen metallischen Elementen Atomic Volume, Atomic Distances and Chemical Bonding in Solid Metallic Elements  
 Abstract    Relationships between bond lengths and bond numbers and also between atomic volumes and valencies are derived and parameters for their calculation are given for the s-block, p-block, and d-block metals. From the atomic volumes under pressure, the valencies of three solid lanthanoids have been confirmed or redetermined: La 3: Ce 2. 3. and 4: Yb 2 and 3. 
  Reference    Z. Naturforsch. 56b, 364—368 (2001); eingegangen am 15. Dezember 2000 
  Published    2001 
  Keywords    Atomic Volume, Valences, Metallic Elements 
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 Identifier    ZNB-2001-56b-0364 
 Volume    56 
59Author    Elena Bermejo3, Alfonso Castiñeiras3, DouglasX. WestbRequires cookie*
 Title    Structural Study of an N(4)-Substituted Thiosemicarbazone Prepared from 1-Phenyl-l,2-propanedione-2-oxime, and of a Related Nickel(II) Complex  
 Abstract    Oxime Thiosemicarbazones, Nickel(II) 1 -Phenyl-1,2-propanedione-2-oxime reacts with 3-piperidylthiosemicarbazide and 3-hexa-methyleneiminylthiosemicarbazide to give the respective 1 -phenyl-1,2-propanedione-1-thio-semicarbazone-2-oximes, HPopip and HPohexim. The crystal structure of HPopip shows the oxime and thiosemicarbazone moieties in a conformation single-trans respect to carbon-carbon. A six-coordinate nickel(II) complex, [Ni(Pohexim)2], has two monoanionic (through loss of a proton from the thiosemicarbazone function) oxime-thiosemicarbazone ligands coordinated in a meridonal arrangement via the oxime nitrogen, the thiosemicarbazone imine nitrogen and the thiolato sulfur atoms. The bond distances to nickel are shorter than found for other six-coordinate complexes with monoanionic tridentate thiosemicarbazone ligands. 
  Reference    Z. Naturforsch. 56b, 369—374 (2001); received February 7 2001 
  Published    2001 
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 Identifier    ZNB-2001-56b-0369 
 Volume    56 
60Author    D. K. Deya, S. P. Deya, A. Elmalib, Y. ElermanbRequires cookie*
 Title    Crystal Structure and Conformation of 2-{(2,-Aminobenzyl)iminoethyl}- 5-methoxyphenol  
 Abstract    Schiff Base, 2-{(2'-Aminobenzyl)iminoethyl}-5-methoxyphenol The Schiff base, 2-{(2'-aminobenzyl)iminoethyl}-5-methoxyphenol, l , 2 -C6H4[NH2-2 ']-CH2N=CHCöH3(OMe-5)OH (I), has been prepared by the reaction of 2 -amino-1-benzylamine and 2-hydroxy-4-methoxyacetophenone in methanol. The molecular structure has been con­ firmed by single crystal X-ray crystallography (triclinic, space group P \, a = 7.201(2), b = 9.802(2), c = 9.993(2) Ä, a = 83.09(2), ß = 73.49(2), 7 = 84.09(2)°, R = 0.0415 for 2611 independent reflections). The 'H and 3C NMR spectra in CDCI3 solution indicate the forma­ tion of some other minor conformations or dissociation in solution. The title compoundois not planar. Intramolecular hydrogen bonding occurs between 0 (1) and N(1) atoms [2.528(2) A], the hydrogen atom essentially being bonded to the nitrogen atom. Minimum energy conformations from AMI were calculated as a function of four torsion angles. The optimized geometry of the molecular structure corresponding to the non-planar conformation is the most stable conforma­ tion in all calculations. The results strongly indicate that the minimum energy conformation is primarily determined by non-bonded hydrogen-hydrogen repulsions. 
  Reference    Z. Naturforsch. 56b, 375—380 (2001); received December 12 2000 
  Published    2001 
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 Identifier    ZNB-2001-56b-0375 
 Volume    56 
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