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

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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.

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Authors and Affiliations

  1. Institut de Science et d’Ingénierie Supramoléculaires, Université de Strasbourg, 8 Allée Gaspard Monge, 67083, Strasbourg, France

    Adrian-Mihail Stadler

  2. Karlsruhe Institute of Technology (KIT), Forschungszentrum Karlsruhe (FZK), Institute for Nanotechnology (INT), Postfach 3640, 76021, Karlsruhe, Germany

    Adrian-Mihail Stadler

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Correspondence to Adrian-Mihail Stadler.

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Dedicated to Eng. Aurelian Niculescu on the occasion of his birthday.

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Stadler, AM. Molecular geometry and conformation: mathematical relations between intra-molecular distances and conformation in Fréchet-type dendrimers and dendrons. J Math Chem 48, 566–582 (2010). https://doi.org/10.1007/s10910-010-9692-4

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  • DOI: https://doi.org/10.1007/s10910-010-9692-4

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