Conformational Stability of 1,2-Dimethoxyethane in the Gas Phase Studied by Infrared Spectroscopy : Importance of an Intramolecular 1,5-CH…O Interaction [in Japanese]
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The gas-phase infrared spectra of 1,2-dimethoxyethane measured at various temperatures gave a value of 0.31 ± 0.04 kcal mol<SUP>−1</SUP> for the energy difference between the <I>trans–gauche–gauche</I>′ and <I>trans–trans–trans</I> conformers, the latter being more stable. This value is in good agreement with the results of high-level <I>ab initio</I> calculations. The present experimental finding gives definitive evidence for the importance of an intramolecular 1,5-CH···O interaction in the stabilization of the <I>trans–gauche–gauche</I>′ conformer in the gas phase.
- Chemistry Letters
Chemistry Letters 1996(8), 637-638, 1996-08
The Chemical Society of Japan