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1993 (1)
1Author    Jürgen Buschmann, Marianna Strümpel, Peter Luger, Tibor KoritsánszkyRequires cookie*
 Title    Anomeric Effect and Charge Density of Dioxane and Dichlorodioxane  
 Abstract    The low-temperature molecular structure and electron density (ED) distribution of dioxane and trans-2,5-dichloro-l,4-dioxane were determined near 100 K from X-ray data. Deformation electron density maps were calculated by Fourier and multipole expansion techniques. The multipole model charge distribution of dioxane determined from experimental data was taken as a reference state, relative to which the ED of the substituted ring was analyzed. These fragment deformation density maps show quadrupolar deformations on atoms O, CI, and anomeric C only. The highly correlated orientation of the lobes at these atomic sites seems to indicate that the observed charge rearrange-ment is caused by three-center interactions. 
  Reference    Z. Naturforsch. 48a, 51—52 (1993); received December 28 1991 
  Published    1993 
  Keywords    Anomeric effect, Dichloro dioxane, Deformation electron density, Three-center inter-actions 
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 TEI-XML for    default:Reihe_A/48/ZNA-1993-48a-0051.pdf 
 Identifier    ZNA-1993-48a-0051 
 Volume    48