Conformational studies of 1,2,3-trichloro- and 1,2,3-tribromopropane by nuclear magnetic resonance spectroscopy: attractive parallel (1:3) halogen-hydr |
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Authors: | DH Chenery AB Dempster K Price N Sheppard |
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Institution: | School of Chemical Sciences, University of East Anglia, Norwich, NOR 88C, England |
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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. |
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Keywords: | Present address (A B D ): Elsevier Scientific Publishing Company Jan Van Galenstraat 335 P O Box 330 Amsterdam The Netherlands |
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