caa a22 4500 475760743 CHVBK 20180406123550.0 cr unu---uuuuu 170329e20000401xx s 000 0 eng 10.1007/BF02495473 doi (NATIONALLICENCE)springer-10.1007/BF02495473 Molecular structures of acetylene derivatives of tin [Elektronische Daten] 7. Bis(trimethylstannyl)acetylene: analysis of electron diffraction data taking into account nonlinear relations between Cartesian and internal vibrational coordinates [L. Khaikin, O. Grikina, V. Sipachev, A. Belyakov, E. Bogoradovskii] The electron diffraction data on bis(trimethylstannyl)acetylene, Me3SnC≡CSnMe3, were analyzed in the framework of the one-dimensional dynamic model of free internal rotation of the SnMe3 group about the axis of the Sn−C≡C−Sn linear fragment. The root-mean-square amplitudes and harmonic shrinkage corrections used in the analysis were calculated from the scaled quantum-chemical force field (i) taking into account nonlinear relations between Cartesian and internal vibrational coordinates at the first-order level of perturbation theory (h1) and (ii) using a conventional approach (h0). Ther h1 parameters of internuclear distances describe the equilibrium geometry of the Me3SnC≡CSnMe3 molecule much better than the commonly accepted parametersr α ≡r h0 . Substituent effects on the geometry of the acetylene fragment are discussed. Kluwer Academic/Plenum Publishers, 2000 bis(trimethylstannyl)acetylene nationallicence gas-phase electron diffraction nationallicence molecular structure nationallicence molecular vibrations nationallicence Khaikin L. Department of Chemistry, M. V. Lomonosov Moscow State University, Leninskie Gory, 119899, Moscow, Russian Federation aut Grikina O. Department of Chemistry, M. V. Lomonosov Moscow State University, Leninskie Gory, 119899, Moscow, Russian Federation aut Sipachev V. Department of Chemistry, M. V. Lomonosov Moscow State University, Leninskie Gory, 119899, Moscow, Russian Federation aut Belyakov A. Department of Organic Chemistry, Technological Institute, 26 Moskovskii prosp., 198013 St., Petersburg, Russian Federation aut Bogoradovskii E. Department of Organic Chemistry, Technological Institute, 26 Moskovskii prosp., 198013 St., Petersburg, Russian Federation aut Russian Chemical Bulletin Kluwer Academic Publishers-Plenum Publishers 49/4(2000-04-01), 631-641 1066-5285 49:4<631 2000 49 11172 https://doi.org/10.1007/BF02495473 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF02495473 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Khaikin L. Department of Chemistry, M. V. Lomonosov Moscow State University, Leninskie Gory, 119899, Moscow, Russian Federation aut NATIONALLICENCE 700 1- Grikina O. Department of Chemistry, M. V. Lomonosov Moscow State University, Leninskie Gory, 119899, Moscow, Russian Federation aut NATIONALLICENCE 700 1- Sipachev V. Department of Chemistry, M. V. Lomonosov Moscow State University, Leninskie Gory, 119899, Moscow, Russian Federation aut NATIONALLICENCE 700 1- Belyakov A. Department of Organic Chemistry, Technological Institute, 26 Moskovskii prosp., 198013 St., Petersburg, Russian Federation aut NATIONALLICENCE 700 1- Bogoradovskii E. Department of Organic Chemistry, Technological Institute, 26 Moskovskii prosp., 198013 St., Petersburg, Russian Federation aut NATIONALLICENCE 773 0- Russian Chemical Bulletin Kluwer Academic Publishers-Plenum Publishers 49/4(2000-04-01), 631-641 1066-5285 49:4<631 2000 49 11172 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer