Study of the features of stabilization of transition states of the prince reaction on clusters from carbon and bornitride nanotubes.
Authors
G. G. Zaytunova
Bashkir state University, Ufa, Russia
P. A. Pasko
Bashkir state University, Ufa, Russia
I. V. Vakulin
Bashkir state University, Ufa, Russia
G. R. Talipova
Bashkir state University, Ufa, Russia
A. I. Vakulina
Ural State University of Economics, Yekaterinburg, Russia
Abstract
An increase in the selectivity of the formation of 1,3-dioxanes can be achieved in the presence of substances with a developed surface containing cavities of a certain section. We considered the stabilization of the TS in clusters of nanotubes, which are characterized by an additional TS stabilization site. To build clusters, we used nanotubes with the optimum diameter found earlier. The table shows the sections of the cavity that arises between the tubes in the cluster at different distances between the walls of the tubes.