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- W1987522845 abstract "Abstract Crystals of (EtO)2P(S)SSSP(S)(OEt)2 are triclinic, P1, with a = 8.388(1), b = 11.128(2), c = 12.518(1) Å, α = 62.34(6), β = 71.93(2), γ = 84.97(5)°, V = 981.6(6) Å3, Z = 2, and D c = 1.36 g/cm3. The final refinement using 3681 observed reflections for 252 variables gives R = 0.057. The two molecules in the elementar cell are conformation enantiomers. The 31P CP MAS spectra show two spinning sideband systems, because the two phosphorus atoms of one molecule are chemically nonequivalent in the crystal. The resolution in the 31C CP MAS spectrum allows to distinguish four lines for the methyl groups and three lines for the methylene groups. NDDO and INDO calculations show, that the conformations with dihedral angles PSSS of ca. 90° have the lowest energies and those with 180 or 0° have considerably higher energies. The relatively high coupling constants 4 J PP of bis-(dialkoxythiophosphoryl)-trisulfanes in solution are not caused by conformations with W-like or other plane positions of the PSSSP nuclei." @default.
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- W1987522845 date "1993-05-01" @default.
- W1987522845 modified "2023-09-27" @default.
- W1987522845 title "CRYSTAL STRUCTURE, SOLID-STATE NMR, AND QUANTUM CHEMICAL MODEL CALCULATIONS OF BIS-(DIETHOXYTHIOPHOSPHORYL)-TRISULFANE" @default.
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- W1987522845 doi "https://doi.org/10.1080/10426509308032445" @default.
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