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'Vibrational spectra' in keywords Facet   Publication Year 1996  [X]
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1996[X]
1Author    Ute Berger, Wolfgang SchnickRequires cookie*
 Title    Ba2Na(CN2)(CN)3, ein neues Cyanamid-cyanid mit interpenetrierenden Teilstrukturen Ba2Na(CN2)(CN)3, a Novel Cyanamide Cyanide with Interpenetrating Substructures  
 Abstract    Ba2Na(CN2)(CN)3 was obtained by the reaction of Ba2N with melamine and NaCN at 700 °C. The compound was structurally characterized by single-crystal X-ray investigations (Fd3m, a = 1518.8(3) pm, Z = 16). In the crystal structure the Ba"+ ions form a cubic close packed arrangement, the Na+ and the CN2_ ions occupy the octahedral interstices. The CN-ions are located within the close packed Ba2+ layers. The unit cell of Ba2Na(CN2)(CN)3 contains two interpenetrating substructures of the zinc-blende structure type, building up a variant of NaTl. A reversible phase transition has been observed during cooling of the compound. Whereas the Ba2(CN2)(CN)3 sublattice remains nearly unaffected in this process, the Na+ ions of the low-temperature phase are statistically distributed on two crystallographic positions. 
  Reference    (Z. Naturforsch. 51b, 1—8 [1996]; eingegangen am 7. Juni 1995) 
  Published    1996 
  Keywords    Cyanamide Cyanides, Synthesis, Crystal Structure, Vibrational Spectra 
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 TEI-XML for    default:Reihe_B/51/ZNB-1996-51b-0001.pdf 
 Identifier    ZNB-1996-51b-0001 
 Volume    51 
2Author    G. O. Stendorp3, O. Tterb, H. HomRequires cookie*
 Title    Syntheses and Properties of Cerium Diphthalocyanines in High Oxidation States; Crystal Structure of [C e(Pc)2](BF4) 0.33  
 Abstract    Ring oxidized green Cerium(IV)diphthalocyanines, [Ce(Pc)2]X (X = (poly)halide, N 0 3_) are prepared by chemical oxidation of ("Bu4N)[Ce(Pc2~)2] with the corresponding halogen in solution or of solid [Ce(Pc2_)2] with aqueous HNO> Electrochemical oxidation of ("Bu4N)[Ce(Pc2_)2] in solution in the presence of ("Bu4N)BF4 yields [Ce(Pc)2](BF4)0.;p, which crystallizes in the tetragonal space group P4/nnc (a, b = 19.643(3) A, c = 6.525(3) A, Z = 2). The CeIV ion is eightfold coordinated by the isoindole N atoms (Niso) of the two staggered (ca. 41°), slightly distorted Pc ligands. The "[Ce(Pc)2]<)33+" subunits are arranged in infinite columns along [001] with the Ce atoms statistically disordered over two positions and C e -N iso bond lengths of 2.45(1) and 2.69(1) A, respectively The UV-VIS spectrum is dominated by the transitions of the Pc2-ligand at ca. 15,000 (B band), 30,000 and 36,000 cm -1 (Q, N region). A low energy ("metallic") band at ca. 2800 cm -1 typical for partially oxidized systems is present. The UV-VIS-NIR spectrum of [Ce(Pc)2]N 0 3 indicates a cofacial Pc2" -P c -complex. In addition to the jt-jz' transitions of the Pc2-moiety at ca. 14,000, 30,000 and 36,000 cm-1, the Ch transition of the Pc-ring is observed at ca. 19,200 cm -1 and the typical N IR band at 6380 cm -1. Oxidation of a thin film of (PNP)[Ce(Pc2_)2] with dry Br2/ N2 gas yields purple [Ce(Pc_)2]B rv, whose UV-VIS-NIR spectrum shows the diagnostic fea­ tures of dimeric Pc~ radicals with intense bands at ca. 14,000 and 18,000 cm -1 assigned as B and Qi bands, respectively. A t ca. 9000 cm 1 the typical Q D absorption is observed. The vibrational spectra are dom inated by the transitions of the Pc-ligand at 1305/1445 cm -1 (IR) and 560/1120/1172/1591 cm-1 (resonance Raman). Excitation with 1064 nm strongly enhances the sym. C e -N stretch at 163 c m '1. 
  Reference    Z. Naturforsch. 51b, 567—573 (1996); received September 14 1995 
  Published    1996 
  Keywords    Diphthalocyanines, Cerium Compounds, Crystal Structure, UV-VIS-NIR Spectra, Vibrational Spectra 
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 TEI-XML for    default:Reihe_B/51/ZNB-1996-51b-0567.pdf 
 Identifier    ZNB-1996-51b-0567 
 Volume    51 
3Author    W. Lübbe, W. PreetzRequires cookie*
 Title    undm-[(w-C4H9)4N][B6H5(CH2)2C6H4]  
 Abstract    Preparation, n B, 13C, 'H NM R Spectra and Vibrational Spectra o f 1,2-Xylylene-pentahydro-c/oso-hexaborate, cw-[B6H5(CH2)2C6H4]_ , and the Crystal Structures o f c/s-[P(C6H5)4][B 6H5(CIL,)2C6H4] and c/s-[(n-C4H9)4N ][B 6H5(CH2)2C6H4] 1,2-Xylylene-pentahydro-c/oso-hexaborat(1 -), ' By reaction of [B6H6]2-with u>,u/-dibromo-o-xylene in acetonitrile the 1,2-xylylene-pentahydro-c/oso-hexaborat, ds-[B 6H5(CH2)2C6H4]_ , is formed. The new ansa compound has been separated from excess [B6H6]2-and other reaction products by ion exchange chromatogra­ phy on diethylaminoethyl cellulose. The crystal structures of c/s-[P(C6H5)4][B6H5(CH2)2C6H4] (I) and as-[(n-C4H9)4N][B6H5(CH2)2C6H4] (II) have been determined by single crystal X-ray diffraction analysis: I is monoclinic, space group P 2 \/n with a = 13.715(5), b = 11.118(1) and c = 19.702(2) A, ß = 103.47(2)°; II is orthorhombic with a = 10.204(7), b = 13.352(4) and c = 20.824(8) A. The "B NMR spectrum confirms the structure with a hetero disubstituted octahedral B6 cage with local C2v symmetry. The l3C and 'H NMR spectra have been assigned in term of such a configuration. The IR and Raman spectra exhibit characteristic CH, BH, BC, B6 and arene vibrations. 
  Reference    Z. Naturforsch. 51b, 691—697 (1996); eingegangen am 25. August 1995 
  Published    1996 
  Keywords    H NMR Spectra, Vibrational Spectra, 13C NMR Spectra, 11B NMR Spectra 
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 TEI-XML for    default:Reihe_B/51/ZNB-1996-51b-0691.pdf 
 Identifier    ZNB-1996-51b-0691 
 Volume    51 
4Author    ]. C. Nachtigal, W. PreetzRequires cookie*
 Title    Darstellung, n B-NMR  
 Abstract    , Schwingungsspektren und Kristallstruktur von Bis(tetraphenylphosphonium)-2-[2-(2-pyridyl-amino)-pyrid-5-yl]-c/oso-decaborat, [P(C6H5)4]2[2-{2-(2-(C5H4N)-NH)-(C5H3N)-5}B10H9] Preparation, 11B NMR, Vibrational Sprectra and Crystal Structure of Bis(tetraphenylphosphonium) 2-[2-(2-Pyridyl-amino)-pyrid-5-yl]-c/fxw-decaborate, [P(C6H5)4]2 [2 2-[2-(2-Pyridyl-am ino)-pyrid-5 -yl]-c7r« 0-decaborate( 
  Reference    Z. Naturforsch. 51b, 1559—1562 (1996); eingegangen am 29. Mai 1996 
  Published    1996 
  Keywords    ), Crystal Structure, n B NMR Spectra, Vibrational Spectra 
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 TEI-XML for    default:Reihe_B/51/ZNB-1996-51b-1559.pdf 
 Identifier    ZNB-1996-51b-1559 
 Volume    51 
5Author    Rolf Minkwitz, Ulrike Lohmann, Hans PreutRequires cookie*
 Title    Primäre und sekundäre Ethyl-und /-Propylsulfoniumsalze sowie Kristallstruktur von /-C3H7SH2+SbF6 [1] Prim ary and Secondary Ethyl and /-Propyl Sulfonium Salts and Crystal Structure of /-C3H 7SH2+SbF6-[1]  
 Abstract    The synthesis of salts of the type R"SH3_"+MF6~ (R = C2H 5, i-C3H 7; n = 1, 2; M = As, Sb) by protonation of the corresponding thiols and sulfides in the superacid systems HF/M F5 is reported. The salts have been characterized by vibrational and NM R spectroscopic methods. Isopropylsulfonium hexafluoroantimonate is the first known example of a sulfonium salt, for which a SH bond distance has been determined by a crystal structure analysis, i-C3H 7SH 2+SbF6" crystallizes in the monoclinic space group P2i/m with a = 568.0(4), b = 801.1(6), c = 1019.7(8) pm, ß = 82.63(6) °, with two formula units per unit cell. 
  Reference    Z. Naturforsch. 51b, 277 (1996); eingegangen am 6. Juli 1995 
  Published    1996 
  Keywords    Primary and Secondary Sulfonium Salts, Vibrational Spectra, NM R Spectra, Crystal Structure 
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 TEI-XML for    default:Reihe_B/51/ZNB-1996-51b-0277.pdf 
 Identifier    ZNB-1996-51b-0277 
 Volume    51 
6Author    W. Lübbe, W. PreetzRequires cookie*
 Title    Darstellung, n B -,13C -,1 H-NMR-und Schwingungsspektren von ja-Dimethylen-bis  
 Abstract    hexahydro-c/oso-hexaborat, [B6H6(CH2)2B6H6]2', sowie Kristallstrukturen von [As(C6H5)4]2[B6H6(CH2)2B6H6] [(CH3)2CO] und [P(C6H5)4]2[B6H6(CH2)2B6H6][C 2H5OH] Preparation, " B , 13C, 'H NM R and Vibrational Spectra of /i-Dimethylene-bis-hexahydro-c/oso-hexaborate, [BeHöCCI^hBöHö]2" , and the Crystal Structures o f [As(C6H5)4]t[B 6H6(CH2)2B 6H6] [(CH3)?CO] and [P(C6H5)4]2 [B6H6(CH2)2B6H6] • [C2H5OH] ^-Dimethylene-bis-hexahydro-c/as'o-hexaborate(2- By reaction of [B6H6]2~ with dibromoethane in acetonitrile /j-dimethylene-bis-hexa-hydro-c/oso-hexaborate(2-), JBfiHötCfLbBfcHö]2 -, is formed. The compound was sepa­ rated from excess [B6H6]'_ by ion exchange chromatography on diethylaminoethyl cellulose. The crystal structures of [AstCfiH.^MBöHötCHbhBöHftl-IXCI-L^CO] (I) and [P(Cf,H5)4]2[BftH^CHT^BftHf,]■ [C2H5OH] (II) have been determined by single crystal X-ray ana­ lysis: I is triclinic, space group PI with a = 10.264(2), b = 13.804(2) and c = 20.242(2) A, a = 97.857(10)°, ß = 92.734(11)° and 7 = 103.024(13)°; II is monoclinic, space group P2iIn with a = 12.742(2), b = 7.532(2) and c = 26.887(3) Ä, ß = 95.765(10)°. The 11B NMR spectrum of this compound reveals the feature of monosubstituted octahedral B6 cages. The l3C NMR spectrum exhibits a triplet at 16.20 ppm with '7(C,H) = 120.4 Hz. In the 'H NMR spectrum a singulet at 0.72 ppm of the CH2-groups and two singulets at 1.72 and -4.95 ppm of the BH fragments are observed. The IR and Raman spectra exhibit strong CH stretching bands between 2908 and 2789 cm-1, BH stretching bands between 2463 and 2396 cm-1, and the BC stretching vibration at 1144 in the IR and at 1150 cm" 1 in the Raman spectrum. 
  Reference    Z. Naturforsch. 51b, 363—369 (1996); eingegangen am 3. August 1995 
  Published    1996 
  Keywords    ), Crystal Structure, 'H NMR Spectra, Vibrational Spectra, l3C NMR Spectra, "B NMR Spectra 
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 TEI-XML for    default:Reihe_B/51/ZNB-1996-51b-0363.pdf 
 Identifier    ZNB-1996-51b-0363 
 Volume    51 
7Author    W. Lübbe, W. PreetzRequires cookie*
 Title    Darstellung, n B-, 13C-, !H-NMR-und Schwingungsspektren von //-Methylen-bis  
 Abstract    hexahydro-c/öso-hexaborat, [B6H6(CH2)B6H6]2_, und Kristallstruktur von [As(C6H5)4]2[B6H6(CH2)B6H6]* V2(CH3)2CO Preparation, "B , 13C, NM R and Vibrational Spectra of //-M ethylene-bis-hexahydro-doso-hexaborate, [B6H 6(C H 2)B6H 6]2~, and Crystal Structure of [As(C6H 5)4]2[B6H 6(C H 2)B6H 6] • V2 (CH3)2CO ^-M ethylene-bis-hexahydro-c/oso-hexaborate(2-), ' 
  Reference    Z. Naturforsch. 51b, 545 (1996); eingegangen am 19. Septem ber 1995 
  Published    1996 
  Keywords    H NM R Spectra, Vibrational Spectra, 13C NMR Spectra, n B NMR Spectra 
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 TEI-XML for    default:Reihe_B/51/ZNB-1996-51b-0545.pdf 
 Identifier    ZNB-1996-51b-0545 
 Volume    51 
8Author    W. Preetz, B. SteuerRequires cookie*
 Title    Darstellung, Schwingungsspektren und Normalkoordinatenanalyse der 10B-und n B-Isotopomeren von [B2(NCS)6]2_ sowie Kristallstruktur von (Ph3P=N=PPh3)2[B2(NCS)6]  
 Abstract    By reaction of [B6H 6]2_ with a solution of (SCN)2 in dichloromethane in the presence of solid KOH the hexaisothiocyanatodiborate anion [B2(NCS)6]2~ is formed and can be isolated by fractionated crystallization. The crystal structure of (PNP)2[B2(NCS)6] has been determ i­ 
  Reference    Z. Naturforsch. 51b, 551—556 (1996); eingegangen am 11. August 1995 
  Published    1996 
  Keywords    H exaisothiocyanatodiborate(2-), Crystal Structure, Vibrational Spectra, Isotopomers, Normal Coordinate Analysis 
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 TEI-XML for    default:Reihe_B/51/ZNB-1996-51b-0551.pdf 
 Identifier    ZNB-1996-51b-0551 
 Volume    51 
9Author    Rolf Minkwitz, Jens Jakob, Andreas Kornath, Hans PreutRequires cookie*
 Title    Uber die Darstellung, spektroskopische Charakterisierung und Kristallstruktur von Trifluormethylazosulfbn-N,N-dimethylamid (CH3)2N S (0)2NNCF3 On the Preparation, Spectroscopic Characterization and Crystal Structure of Trifluoromethylazosulfon-N,N-dimethylamid (C H 3)2N S (0 )2NNCF3  
 Abstract    The reaction of Trifluoronitrosomethan with (CH3)2NS(0)2N H 2 in T H F and Na2C 0 3 as 
  Reference    Z. Naturforsch. 51b, 557—562 (1996); eingegangen am 10. O ktober 1995 
  Published    1996 
  Keywords    Trifluormethylazosulfon-N, N-dimethylamid, Vibrational Spectra, NM R Spectra, Mass Spectra, Crystal Structure 
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 TEI-XML for    default:Reihe_B/51/ZNB-1996-51b-0557.pdf 
 Identifier    ZNB-1996-51b-0557 
 Volume    51