Inclusion complexes of 1:2 stoichiometry between azobenzenes and cyclodextrins: a molecular mechanics study
β Scribed by D.J Barbiric; R.H de Rossi; E.A Castro
- Book ID
- 114141259
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 403 KB
- Volume
- 537
- Category
- Article
- ISSN
- 0166-1280
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π SIMILAR VOLUMES
Molecular mechanics calculations were employed to study the inclusion of 2-methyl naphthoate in alpha- and beta-cyclodextrin in vacuo and in the presence of water as a solvent. The driving forces for complexation are dominated by nonbonded van der Waals host:guest interactions in both environments.
The inclusion complexes of 2-, 3-, and 4-hydroxypyridines with @cyclodextrin in aqueous solution have been studied by high field 'H NMR. All complexes showed a 1: 1 stoichiometry and the apparent association constants reflected the polarity of the guest compounds in a qualitative fashion. The inclus