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By L E Sutton; M R Truter; T L Blundell
Content material: pt. 1. Electron diffraction -- pt. 2. Neutron diffraction -- pt. three. X-ray diffraction
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26 Molecular Structure by Diffraction Methods tudes of vibration. In the light of these errors it is difficultto accept compositionerror limits reported as only 1% in some studies. ~~ For most systems of conformational interest potential functions are sufficiently well known that most vibrational amplitudes and shrinkage can be adequately estimated and need not be determined from the diffraction data. Another application of force-field information is to predict stable configurations for very large, complex molecules and then only to require the electron diffraction data to select from among the configurations suggested by the force-field calculations.
1959,81, 3491 ; K. Kuchitsu, Bull. Chem. Soc. Japan, 1959, 32, 748. h L. S. Bartell and T. L. Boates, J. Mol. Structure, 1976, 32, 379. Y. Morino and K. Kuchitsu, J. Chem. , 1958,28, 175. J G . H. Pauli, F. A. Momany, and R. A. Bonham, J. Amer. Chem. ,1964, 86, 1286. k M. Yamaha, Bull. Chem. Soc. Japan, 1956, 29, 876. A. Almenningen, 0. Bastiansen, and L. Fernholt, personal communication in ref. 6, p. 351. I. Hargittai and G. S. , 1972, 323; G . Schultz and I. Hargittai, Acta Chim. Acad. Sci.
M. Sheldrick, J. Chem. SOC. ( A ) , 1970, 318. 59 6o Electron Di'raction Studies of Molecular Conformation 35 Table 3 Conformations of acyclic saturated inorganic compounds studied by electron difraction. The internal rotation bond is indicated by a bond in the structural formula. A 0" torsional angle refers to a syn-eclipsed configuration. If more than one species is observed, they are listed in order of diminishing stability. 7)" torsion 120(6)" (I, 82 38 Molecular Structure by Difraction Methods Table &continued Coinpound MeS -SCH,Me Methylethyldisulphane MeSS-CH,Me Methylethyldisulphane R cf.