| Autor: |
BABKIN, V. A., ANDREEV, D. S., IGNATOV, A. V., BELOUSOVA, V. S., FOMICHEV, V. T., AKCHURIN, T. K., ARTSIS, M. I., ZAIKOV, G. E. |
| Předmět: |
|
| Zdroj: |
Oxidation Communications; 2020, Vol. 43 Issue 2, p171-176, 6p |
| Abstrakt: |
For the first time, a quantum-chemical study of the initiation mechanism of the cationic polymerisation monomer p-methylstyrene in the presence of a complex catalyst of aluminum chloride -- hydrochloric acid in toluene with a stoichiometric composition of 1:1:4 by the ab initio method was performed. We showed that the energy barrier is 15 kJ/mol, and the thermal effect of the reaction is 113 kJ/mol. The reaction is of exotermic character and represents the usual acceptance of a proton from the complex catalyst AlCl3-HCl and its attachment to the most hydrogenated carbon atom C(1). [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
|
