SENSORS FOR ORGANIC-SOLVENT DETECTION IN THE PPM RANGE BASED ON DIOXO[6.1.6.1]PARACYCLOPHANES - FROM MOLECULAR MODELING TO ANALYTE RECOGNITION

Communication: Hydrophobic coatings for mass-sensitive sensor devices, which yield a negligible water cross sensitivity, are the aim of the reported research. Molecular modeling was used to gain an understandin g of the binding mechanism of some solvent molecules with a tetraazapa racyclophane containing alkyl substituents at the amino bridge-heads ( CPO44VAL)-the figure shows the calculated geometry of the benzene comp lex of CPO44VAL. The theoretical results were then compared with the a ctual performance of CPO44VAL in devices.