@article{ShainyanKleinpeterSuslova2019,
  author    = {Shainyan, Bagrat A. and Kleinpeter, Erich and Suslova, E. N.},
  title     = {Conformational Analysis of (1,1′-Phenyl-1,1′-silacyclohex-1-yl)disiloxane},
  series = {Russian journal of general chemistry},
  volume    = {89},
  journal   = {Russian journal of general chemistry},
  number    = {4},
  publisher = {Pleiades Publ.},
  address   = {New York},
  issn      = {1070-3632},
  doi       = {10.1134/S1070363219040121},
  pages     = {713 -- 716},
  year      = {2019},
  abstract  = {The DFT and MP2 theoretical conformational analysis of the recently synthesized (1,1-phenyl-1,1-silacyclohex-1-yl)disiloxane has revealed the energetic preference of the Ph-ax,Ph-ax conformer. The Ph-ax,Ph-ax: Ph-ax,Ph-eq: Ph-eq,Ph-eq conformers ratio has been estimated as of 46.6: 33.1: 20.3 from the M062X/6-311G(d,p) free energy simulation, suggesting the possibility of detecting individual conformers experimentally, e.g., by low-temperature H-1 and C-13 NMR spectroscopy. However, only the presence of several conformers has been detected by means of H-1 NMR spectroscopy at 113 K; determination of the (Hz) and G(\#) (kcal/mol) parameters for the 6-membered ring interconversion has been impossible due to the signals broadening at low temperature, signal temperature shifts, and extremely low barrier of ring inversion at T-c < 113 K.},
  language  = {en}
}