caa a22 4500 475759206 CHVBK 20180406123545.0 cr unu---uuuuu 170329e20000901xx s 000 0 eng 10.1007/BF02495147 doi (NATIONALLICENCE)springer-10.1007/BF02495147 Quantum-chemical studies of catalysts immobilized on silica. The complex Cu(OSiH3)2·2H2O as a model of catalytically active polycopperphenylsiloxanes [Elektronische Daten] [V. Smirnov, E. Golubeva, M. Levitskii] 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. Kluwer Academic/Plenum Publishers, 2000 quantum-chemical calculations nationallicence copper chloride complexes nationallicence electron affinity nationallicence polycopperphenylsiloxanes nationallicence silica nationallicence heterogeneous catalysis nationallicence Smirnov V. Department of Chemistry, M. V. Lomonosov Moscow State University, Leninskie Gory, 119899, Moscow, Russian Federation aut Golubeva E. Department of Chemistry, M. V. Lomonosov Moscow State University, Leninskie Gory, 119899, Moscow, Russian Federation aut Levitskii M. A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 117813, Moscow, Russian Federation aut Russian Chemical Bulletin Kluwer Academic Publishers-Plenum Publishers 49/9(2000-09-01), 1491-1495 1066-5285 49:9<1491 2000 49 11172 https://doi.org/10.1007/BF02495147 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF02495147 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Smirnov V. Department of Chemistry, M. V. Lomonosov Moscow State University, Leninskie Gory, 119899, Moscow, Russian Federation aut NATIONALLICENCE 700 1- Golubeva E. Department of Chemistry, M. V. Lomonosov Moscow State University, Leninskie Gory, 119899, Moscow, Russian Federation aut NATIONALLICENCE 700 1- Levitskii M. A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 117813, Moscow, Russian Federation aut NATIONALLICENCE 773 0- Russian Chemical Bulletin Kluwer Academic Publishers-Plenum Publishers 49/9(2000-09-01), 1491-1495 1066-5285 49:9<1491 2000 49 11172 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer