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

Abstract

A geometrical approach to two distances in Frechet-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.