Abstract
The structures of the complexes CuX2·2L (X=0H, OSiH3, or Cl; L=H2O, NH3, H2S, or PH3) were calculated and their electron affinities were estimated by the MP2//HF/SBK(6–31) method. The [CuX2·2L]− anions are unstable and decompose to chlorocuprite anions and free ligands. Based on the results of calculations for the complex Cu(OSiH3)2·2H2O (the simplest model of the structural unit of polycopperphenylsiloxane) and possible products of its conversions, the catalytic properties of polycopperphenylsiloxanes in the reactions of chloroorganic synthesis are discussed.
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Published inIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 9, pp. 1499–1503, September, 2000.
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Smirnov, V.V., Golubeva, E.N. & Levitskii, M.M. Quantum-chemical studies of catalysts immobilized on silica. The complex Cu(OSiH3)2·2H2O as a model of catalytically active polycopperphenylsiloxanes. Russ Chem Bull 49, 1491–1495 (2000). https://doi.org/10.1007/BF02495147
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DOI: https://doi.org/10.1007/BF02495147