Refined Procedure for Analysis of Electron Diffraction Data and Its Application to CCl4

Abstract

A refined procedure for obtaining the structure of free molecules from electron diffraction data is described which compensates for the interference arising from non-nuclear scattering. The procedure is applied to CCl, using somewhat more extensive rotating sector data than has hitherto been published for this molecule. Estimates are made for the first time in electron diffraction results of the effect of anharmonicity of vibration on the measurement of internuclear distance and of the effect of the failure of the Born approximation on the measurement of amplitudes of vibration. A method of estimating the reliability of the results is described.

An improved data reduction procedure for processing electron diffraction images and its application to structural study of carbon tetrachloride

“…the magnitude of distortion, measured as the difference between the highest and the lowest apparent wavelengths for the given pattern, was ca. 0.2%, the values of well-definable distances (such as r(ClÁ Á ÁCl) in CCl 4 , r(C-C) in benzene, and r(I-I) in I 2 ) in our experiments are in excellent agreement with the data available in the literature [27][28][29][30][31][32] (see Table 1). The high-precision investigation of carbon tetrachloride is discussed in detail below.…”

Accurate determination of molecular structures by x-ray absorption spectroscopy

“…Electron diffraction has been extensively developed and applied to investigate the structure of simple molecules in the gas phase. [2][3][4] Distances and variances ͑vibrational amplitudes͒ can be measured with an accuracy of about 0.001 Å and 10%, respectively. The knowledge of the atomic distribution function is very important in understanding the ground-state interatomic potential of molecular systems.…”

Molecular and crystal structure of meso-(RS)-1,1,1,3,6,8,8,8-octachlorooctane

“…2. Structure of meso-(RS) -l,l,l,3,6,8,8,8-octachlorooctane Ghosh, Trambarulo & Gordy (1952); (q) Fourme & Renaud (1966); (r) Schaeffer & Marsh (1969); (s) Holm, Mitzlaff & Hartmann (1968); (t) Silver & Rudman (1972); (u) Morino & Hirota (1958); (v) Sasada & Atoji (1953); (w) Iwasaki (1959); (x) Sorensen (1971); (3,) Karle & Karle (1949); (z) Bartell, Brockway & Schwendeman (1955); (aa) Livingston & Lyon (1956).…”