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. Cl2AsNH2, ClAs(NH2)2, and As(NH2)3 can act as intermediates in the course of consecutive amination of AsCl3. 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.
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Original Russian Text © M.S. Galkin, S.V. Zelentsov, 2015, published in Zhurnal Neorganicheskoi Khimii, 2015, Vol. 60, No. 5, pp. 657–663.
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Galkin, M.S., Zelentsov, S.V. Arsenic(III) chloride ammonolysis. Russ. J. Inorg. Chem. 60, 589–594 (2015). https://doi.org/10.1134/S003602361505006X
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DOI: https://doi.org/10.1134/S003602361505006X