M. Trætteberg, K. Hedberg
Feb 1, 1994
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0
Influential Citations
18
Citations
Journal
Journal of the American Chemical Society
Abstract
Evidence for internal hydrogen bonding has been sought for in a study of 1,4-butanediol (BDIOL), a molecule in which the «gauche» effect is expected to have minimal influence on the conformational preferences. This has been achieved by studying the molecular structure and the conformational equilibrium of the BDIOL molecule, using gas-phase electron diffraction (GED). Experimental data have been recorded at 60 keV at two different temperatures, 144 and 260 o C. The GED study has been supplemented by molecular mechanics calculations, carried out on the ten conformers that are in principle individually distinguishable by the GED method