Y. Morino, K. Kuchitsu
Feb 1, 1958
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Journal
Journal of Chemical Physics
Abstract
The molecular structure and the rotational isomerism of n‐propyl chloride were investigated by means of the sector‐microphotometer method of electron diffraction. The following structural parameters were obtained: C–Cl=1.775±0.02 A, C–C=1.535±0.02 A, and ∠C–C–Cl=111°±2°. It was confirmed that there are two isomers in the vapor phase; one is the trans‐form, and the other is the gauche‐form. From the analysis of the scattering intensity of the small‐angle region (q=5∼15), the angle of ∠C–C–C, the azimuthal angle of the gauche‐form, and the fraction of the trans‐form were found to be 109.5°±2.5°, 59°±5°, and 19±5%, respectively. It was also found through the calculation of the partition functions that the gauche‐form is only a few hundred calories/mole more stable than the trans‐form, in fairly good agreement with the spectroscopic results. The procedure used in the analysis of the small‐angle region is described in detail.