Conclusions
It has been shown for PbF2 that one can process electron-diffraction data for molecules containing heavy atoms on the basis of atomic scattering amplitudes calculated with a relativistic approximation for the atomic electron density. The errors in calculating the atomicscattering amplitudes explain the previous discrepancies in the observed values for the Pb-Cl amplitudes in PbCl2 derived in two independent researches. The differences between those values are now not so considerable, and they may be explained as due to experimental error or to the processing of the measurements in Hungary for most of the scattering angles having been performed without the relativistic corrections to the electron density.
Our mean-square vibration amplitudes and the measured frequencies can be used with our semiempirical relationships for the force constants to determine the potential-energy parameters for those molecules and to estimate the vibrational frequencies for PbI2, which have not been measured.
I am indebted to Professor V. P. Spiridonov and staff at the vapor electron-diffraction laboratory at Moscow University for providing the observed values for the reduced molecular component of the scattering intensities for lead dihalides and for valuable comments in discussion on the draft.
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Additional information
High-Temperature Institute, Academy of Sciences of the USSR. Translated from Zhurnal Strukturnoi Khimii, Vol. 32, No. 1, pp. 54–59, January–February, 1991.
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Bazhanov, V.I. Structure-parameter and force-field refinement for lead dihalide molecules. J Struct Chem 32, 44–48 (1991). https://doi.org/10.1007/BF00744940
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DOI: https://doi.org/10.1007/BF00744940