Solvent Extraction of In(III) with 25,26,27,28- Tetrakis[(ethoxycarbonyl)methoxy]-p-tert-Butylcalix[4]arene and Crystal Structure of the Extracted Complex
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文摘
Paracyclophanes serve well as receptor sites mimicking enzyme analogue recognition. Their application as coatings for themass-sensitive detection of toxic organic solvent vapours is demonstrated involving synthetic variation of the macrocycle in terms of cavity size, shape and stereoelectronics. In this way it is possible to tailor these hosts towards different analytes such as chloroform or toluene. The computational modelling of the inclusion allows the prediction of both the sensitivities and selectivities of promising coatings before doing time consuming syntheses. Force-field calculations show that the outstanding inclusion behaviour of a xylylene bridged tetraazaparacyclophane towards large aromatic and halogenated analyte molecules is due to the elongated cavity of the host. Temperature-dependent determination of the equilibrium constant K of the guest inclusion shows that calculated and measured interaction enthalpies do correlate satisfactorily.