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'Normal Coordinate Analysis' in keywords Facet   Publication Year 1998  [X]
Facet   section ZfN Section B:Volume 053  [X]
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1Author    J. Seemann, W. PreetzRequires cookie*
 Title    Schwingungsspektren und Normalkoordinatenanalyse von Hexathiocyanatoplatinat(IV), Kristallstruktur von [Py2CH2][Pt(SCN)6] Vibrational Spectra and Normal Coordinate Analysis of Hexathiocyanatoplatinate(IV), Crystal Structure of [Py2CH2][Pt(SCN)6]  
 Abstract    By treatment of [PtCl6]2-with an excess of SCN~ in aqueous solution [Pt(SCN)6]2~ is formed. The X-ray structure determination on a single crystal of [Py2CH2][Pt(SCN)6] (orthor-hombic, space group Pna21? a = 15.5084(9), b = 11.8444(11), c = 13.2830(9)A, Z = 4) shows, that the thiocyanate groups are exclusively S-coordinated with average Pt-S distances of 2.378 A and Pt-S-C angles in the range from 103.1° to 108.1°. Based on the molecular parameters of the X-ray determination the low temperature (10 K) IR and Raman spectra have been assigned by normal coordinate analysis. The valence force constant is fd(PtS) = 1.62 mdyn/A. 
  Reference    (Z. Naturforsch. 53b, 13—16 [1998]; eingegangen am 15. Oktober 1997) 
  Published    1998 
  Keywords    Hexathiocyanatoplatinate(IV), IR Spectra, Raman Spectra, Normal Coordinate Analysis, Crystal Structure 
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 TEI-XML for    default:Reihe_B/53/ZNB-1998-53b-0013.pdf 
 Identifier    ZNB-1998-53b-0013 
 Volume    53 
2Author    K. Dallmann, W. PreetzRequires cookie*
 Abstract    Normalkoordinatenanalyse von [Os(acac)3] Synthesis, Crystal Structure, Vibrational Spectra, and Normal Coordinate Analysis o f [Os(acac)3] In the reaction o f K 2[O sCl6] with boiling water/acetylacetone (1:1) a mixture o f different chloro-acetylacetonato complexes is formed, from which [Os(acac)3] can be isolated by column chromatography with dichloromethane on silica gel. The crystal structure o f [Os(acac)3] (m o­ noclinic, space group P2,/c,a = 13.968(5), b = l . 517(5), c = 16.455(5) A ,ß = 98.939(5)°, Z = 4) has been determined by single crystal X-ray diffraction analysis. High resolution IR and Raman spectra were measured at low temperature (10 K). Based on the molecular parameters o f the X-ray structure determination a normal coordinate analysis has been performed and the normal modes o f vibration have been assigned. With a set o f 32 force constants, taking into account the intraligand vibrations, a good agreement between observed and calculated frequencies has been achieved. The valence force constants are fd(OsO) = 3.19 and fd(O C) = 6.74 mdyn/A. 
  Reference    Z. Naturforsch. 53b, 232—238 (1998); eingegangen am 26. November 1997 
  Published    1998 
  Keywords    Tris(acetylacetonato)osmium(III), Crystal Structure, IR Data, Raman Data, Normal Coordinate Analysis 
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 TEI-XML for    default:Reihe_B/53/ZNB-1998-53b-0232.pdf 
 Identifier    ZNB-1998-53b-0232 
 Volume    53