An EPR Investigation of the Kinetics of Inclusion of a Persistent Radical in Water-Soluble Calix[4]arenes
✍ Scribed by Paola Franchi; Marco Lucarini; Gian Franco Pedulli; Domenico Sciotto
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 105 KB
- Volume
- 112
- Category
- Article
- ISSN
- 0044-8249
No coin nor oath required. For personal study only.
✦ Synopsis
A voluminous literature reporting the synthesis and characterization of calixarenes behaving as highly selective receptors for metal cations and organic guest molecules has appeared during the last twenty years [1] . These calixarenes are Figure 3. The HOMO and LUMO obtained from our density functional theory calculations, together with simple orbital correlations showing the direct formation of the diradical species. The correlation is with respect to the molecular plane of symmetry. Note that in the optimized geometry calculation of the HOMO and LUMO, this restriction is relaxed as the geometry is not planar.
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