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'Normal Coordinate Analyses' in keywords Facet   Publication Year 1997  [X]
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1997[X]
1Author    X. =. Cl, I. V. Br, W. Lorenzen, PreetzRequires cookie*
 Title    Kristallstrukturen von Oi-Bu4N)  
 Abstract    [B6C16], (w-Bu4N)[B6Br6] und (Ph3P=N=PPh3)[B6I6] sowie Schwingungsspektren und Normal-koordinatenanalyse der Hexahalogeno-c/osö-Hexaboratradikal-anionen [B6X6]~, X = Cl, Br, I Crystal Structures of («-Bu4N)[B6C16], (rc-Bu4N)[B6Br6], and (Ph3P=N=PPh3)[B6I6], and Vibrational Spectra and Normal Coordinate Analysis of the Hexahalogeno-c/oso-hexaborate Radical Anions [B6X6]-, Oxidation of hexahalogeno-c/oso-hexaborates [B6X6]2_, X = Cl, Br, I, with (NH4)2[Ce(N03)6] in ethanol yields coloured radical ions [B6X6]~. X-ray structure determina­ tions have been performed on single crystals of («-Bu4N)[B6Cl6] (1) (monoclinic, space group P2,/c,a = 13.144(2),6 = 12.594(2),c = 17.688(5) A,ß = 107.29(2)°,Z=4),(«-B u4N)[B6Br6] (2) (monoclinic, space group P2,/c, a = 13.529(5), b = 13.096(5), c = 17.863(5) Ä, ß = 107.20(5)°, Z = 4) and (Ph3P=N=PPh3)[B6I6] (3) (triclinic, space group P I, a = 9.3137(8), b = 10.6988(10), c = 11.8760 A, a = 102.220(7), ß = 99.34J(8), 7 = 96.030(7)°, Z = 1). The average B-B distan­ ces are nearly equal (1.733 Ä (1), 1.728 A (2), 1.728 A (3)) while the B-X distances increase (1.762 A (1), 1.912 A (2), 2.120 A (3)). Using the molecular parameters, normal coordinate analyses have been performed and a good agreement of observed and calculated frequencies of 11B and 1 'B labelled derivatives has been achieved. The valence force constants fd(BB) and fd(BX) of [B6X6]" are 1.17 and 4.17 (X = Cl), 1.18 and 3.34 (Br) and 1.18 and 2.60 mdyn/A (I), respectively. 
  Reference    Z. Naturforsch. 52b, 565—572 (1997); eingegangen am 19. Februar 1997 
  Published    1997 
  Keywords    Hexahalogenohexaborates( 1 -), Crystal Structure, Vibrational Spectra, Normal Coordinate Analysis 
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 TEI-XML for    default:Reihe_B/52/ZNB-1997-52b-0565.pdf 
 Identifier    ZNB-1997-52b-0565 
 Volume    52 
2Author    K. Dallmann, W. PreetzRequires cookie*
 Title    Kristallstrukturen, Schwingungsspektren und Normalkoordinaten- analysen von cis-und ^rans-[OsX2(acac)2], X = Cl, Br, I Crystal Structures, Vibrational Spectra and Normal Coordinate Analyses of cis-and rrarcs-[OsX2(acac)2l, X = Cl, Br, I  
 Abstract    The crystal structures of frans-tOsCM acac)?] (triclinic, space group P i, a = 7.4114(5), 
  Reference    Z. Naturforsch. 52b, 965—974 (1997); eingegangen am 12. Mai 1997 
  Published    1997 
  Keywords    Crystal Structure, IR Spectra, Raman Spectra, Normal Coordinate Analysis, trans Influence 
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 TEI-XML for    default:Reihe_B/52/ZNB-1997-52b-0965.pdf 
 Identifier    ZNB-1997-52b-0965 
 Volume    52