The influence of the chemical structure of terminal fragments on the spatial-dynamic organization of dendrimers

The data obtained in numerical molecular dynamics experiments were used to analyze the spatial structure and intramolecular mobility of carbosilane de ndrimers and the thermodynamic behavior of these dendrimers in a "poor" sol vent. The length of terminal fragments had no effect on the radial dendrime r density distribution, whereas an increase in the volume of terminal group s increased the size of molecules and decreased their intramolecular densit y. About 20% of terminal groups were always distributed in internal dendrim er regions. At temperatures above the vitrification temperature of separate molecules, the frequency of conformational transitions of chain units weak ly depended on their topological distance from the center of the dendrimer and substantially increased only at terminal fragment chain units.