AM1 and ab initio calculations were performed for molecular glucopyranose and its alkoxy anions. Minimum energy conformers were found for both the a-and b-anomers of molecular glucose and each of the corresponding deprotonated species. Cooperative hydrogen bonding towards the charge site was observe
Relative Gas-phase Acidities of Fluoro- and Chlorobenzene
✍ Scribed by Andrade, Paula B. M.; Riveros, José M.
- Publisher
- John Wiley and Sons
- Year
- 1996
- Tongue
- English
- Weight
- 388 KB
- Volume
- 31
- Category
- Article
- ISSN
- 1076-5174
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✦ Synopsis
The gas-phase equilibrium reaction between fluorobenzene and chlorobenzene and their conjugate bases was studied by Fourier transform ion cyclotron resonance spectrometry in order to reconcile conflicting experimental results obtained using different techniques. The results of a large number of measurements yield equilibrium constants which show chlorobenzene to be more acidic than Buorobenzene by 0.55 f 0.15 kcal mol-' ( h e at 330 K). Different control experiments were carried out to ensure that the measured equilibrium constants reflect adequately the thermal distribution of the different isomeric halophenide ions.
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