Quantum Chemical Study of the Production of 1-Vinyladamantane As a Result of Ionic Alkylation of Adamantane with Ethylene

A multi-stage process is considered for the formation of vinyl adamantane via the ionic alkylation of adamantane with ethylene using aluminum chloride as a catalyst. A feature of the ionic alkylation of adamantane with olefins is the formation of saturated and unsaturated derivatives. Quantum chemical methods means are used to study the kinetic and thermodynamic parameters of the corresponding elementary acts of chemical reactions. A comparative analysis of the characteristics of the reaction for the production of unsaturated adamantane derivatives via ionic alkylation with ethylene is performed using alkylation with propylene. © The Author(s) 2024.