D. Chenery, A. B. Dempster, K. Price
Jun 1, 1975
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0
Influential Citations
10
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract Analysis of the NMR spectra of 1,2,3-trichloropropane and 1,2,3-tribromopropane in various media shows the most stable conformer to be AG - . The populations of several conformera have been estimated by using pure trans and gauche coupling constants obtained from closely similar molecules. The calculated populations found in non-polar solvents agree well with those obtained by electron diffraction studies in the gas phase. It is suggested that the AG - form is stabilised relative to AG + by the former having two parallel (1:3) halogen-hydrogen attractions against one in the AG + form. Comparison is made to related molecules where the most stable conformers also have the greatest number of parallel (1:3) halogen-hydrogen interactions.