Intramolecular hydrogen bonding and conformation of 1,3-propanediol
β Scribed by Rif. R. Shagidullin; A. V. Chernova; A. Kh. Plyamovatyi; R. R. Shagidullin
- Book ID
- 112450009
- Publisher
- Springer
- Year
- 1991
- Tongue
- English
- Weight
- 535 KB
- Volume
- 40
- Category
- Article
- ISSN
- 1573-9171
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## Abstract The conformation of 1βphenylβ1β(1,2βdimethylβ5βpyrrolyl)β2β(2βmethylβ5βbenzoylβ1βpyrroly)ethanol, with characteristics of a molecular propeller, is stabilized by intramolecular hydrogen bonding as detected by ^1^H NMR, NOE difference experiments, 2D NMR, COSY, ^13^C NMR, HETCOR, HMBC an
An ab initio molecular orbital calculation has been carried out for three different conformations of I,3 propanediol, onr: ol'\vhich permits intrumolccular hvdroscn bonding. This is the first intrnmolwular H-bond stlidied by ab initio quanium mecllanicltl methods. The Af:' for H-bond Vormztion is co