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'Vibration Frequencies' in keywords Facet   Publication Year 2001  [X]
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2001[X]
1Author    RehabM. KubbaRequires cookie*
 Title    Vibration Frequencies and Normal Coordinates of 3Radialene  
 Abstract    SCF-MO calculations of the vibration frequencies and IR absorption intensities of 3radialene are re­ ported. Complete normal coordinate analysis for the molecule was done. The C=C str. frequencies of 3radialene are found to be intermediate between the values for ethylene and acetylene. The results are explained in terms of a modified Förster-Walsh model for the 3ring in which the central carbon atoms show sp hybridization. 
  Reference    Z. Naturforsch. 56a, 505—508 (2001); received September 8 2000 
  Published    2001 
  Keywords    3Radialene, Vibration Frequencies, MINDO/3-FORCES 
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 TEI-XML for    default:Reihe_A/56/ZNA-2001-56a-0505.pdf 
 Identifier    ZNA-2001-56a-0505 
 Volume    56 
2Author    RehabM. Kubba, Muthana ShanshalRequires cookie*
 Title    Frequencies and Normal Modes of Benz(a)anthracene. A MINDO/3-FORCES Treatment  
 Abstract    Quantum mechanical calculations, based on the MINDO/3-FORCES method, of the vibration fre­ quencies and IR absorption intensities of benz(a)anthracene are reported and compared with calculated vibration frequencies of that molecule. For the first time a complete normal coordinate analysis for the molecule is reported. Interesting correlations between vibration motions of the same type but different symmetries are reported. 
  Reference    Z. Naturforsch. 56a, 493—498 (2001); received September 8 2000 
  Published    2001 
  Keywords    Benz(a)anthracene, Vibration Frequencies, MINDO/3-FORCES 
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 TEI-XML for    default:Reihe_A/56/ZNA-2001-56a-0493.pdf 
 Identifier    ZNA-2001-56a-0493 
 Volume    56 
3Author    RehabM. Kubba, Muthana ShanshalRequires cookie*
 Title    Vibration Frequencies and Normal Coordinates of Benzo(c)phenanthrene  
 Abstract    MINDO/3-FORCES quantum mechanical calculations yielded non-planar (Q) geometry of Ben-zo(c)phenanthrene. The result agrees with the majority o f published results but disagrees with others in which a planar (C2v) structure was accepted in order to simplify the analysis of certain spectroscopic data. Vibration frequencies and IR absorption intensities were calculated then, applying the non-planar (C2) structure. A complete normal coordinate analysis for the molecule is reported. Inspection of these coordinates allowed the discovery of some useful comparative relations between them, which are re­ ported in the paper. 
  Reference    Z. Naturforsch. 56a, 499 (2001); received September 8 2000 
  Published    2001 
  Keywords    Benzo(c)phenanthrene, Vibration Frequencies, MINDO/3-FORCES 
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 TEI-XML for    default:Reihe_A/56/ZNA-2001-56a-0499.pdf 
 Identifier    ZNA-2001-56a-0499 
 Volume    56