Arsenic(III) chloride ammonolysis

Abstract

A systematic study into the scheme of reaction of ammonia with arsenic(III) chloride has been carried out using advanced quantum chemical methods QCISD(T), B3LYP, MP2, CBS QB3, and G2. Cl 2 AsNH 2 , ClAs(NH 2 ) 2 , and As(NH 2 ) 3 can act as intermediates in the course of consecutive amination of AsCl 3 . The activation energy of these stages does not exceed 11 kcal/mol. The formation of an ammonium chloride salt appreciably increases the exothermicity of the reaction.