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Theoretical studies on the conformation of saccharides. VIII. Solvent effect on the stability of β-cellobiose conformers

✍ Scribed by Igor Tvaroška

Publisher
Wiley (John Wiley & Sons)
Year
1984
Tongue
English
Weight
540 KB
Volume
23
Category
Article
ISSN
0006-3525

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✦ Synopsis

The conformational equilibria of five P-cellobiose conformers have been studied theoretically in 10 solvents. The stability of the conformers in dilute solution has been compared by using the method that has already been tested for X-methoxytetrahydropyran, p-maltose, and Bglucose. The solvation energy consists of electrostatic, dispersion, and cavity terms which have been determined from the properties of the solute calculated by the PCILO quantum-chemical method and physicochemical prop erties of the solvents. The calculated abundance of conformers depends on the solvent (e.g.

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