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Journal of Mathematical Chemistry

, Volume 48, Issue 3, pp 566–582 | Cite as

Molecular geometry and conformation: mathematical relations between intra-molecular distances and conformation in Fréchet-type dendrimers and dendrons

  • Adrian-Mihail StadlerEmail author
Original Paper
  • 81 Downloads

Abstract

A geometrical approach to two distances in Fréchet-type dendrimers is presented in this paper: the dependence on the conformation of the distance between the centres of two consecutive phenyls (i.e. the two phenyl rings of a benzyl-phenyl-ether motif), and the calculation of the radius of a G1 dendron (i.e. the distance between the C1 atom of the focal phenyl ring and the C4 atom of a phenyl ring superior to it), as a function of torsion angles. This approach enables determination of the extreme values of these distances.

Keywords

Dendrimers Fréchet-type dendrimers Molecular geometry Conformation Torsion angle 

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Copyright information

© Springer Science+Business Media, LLC 2010

Authors and Affiliations

  1. 1.Institut de Science et d’Ingénierie SupramoléculairesUniversité de StrasbourgStrasbourgFrance
  2. 2.Karlsruhe Institute of Technology (KIT), Forschungszentrum Karlsruhe (FZK), Institute for Nanotechnology (INT)KarlsruheGermany

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