The Solid Channel Structure Inclusion Complex Formed Between Guest Styrene and Host c-Cyclodextrin

The solid complex of guest styrene included inside the channels of host c-cyclodextrin (styrene/c-CDchannel-IC) was formed in order to perform polymerization of styrene in a confined environment (c-CD channels). The experimental molar ratio of styrene to c-CD in styrene/c-CDchannel-IC was found to be 2:1, which is consistent with molecular modeling studies, utilizing Quantum Mechanics PM3 parameters that indicate the c-CD/two styrene molecular complex is the most energetically favorable. Consistent with modeling of the c-CD/two styrene molecular complex, no experimental indication of intermolecular p–p interactions between the pairs of included styrene molecules inside the c-CD channels was observed. Once included in the host c-CD cavities, the thermal stability of normally volatile bulk styrene to elevated temperatures (much above its boiling point) was observed until the c-CD host molecules themselves began to degrade at 300 C. In addition, the thermal degradation of host c-CD from the styrene/c-CDchannel-IC was observed to be different from that of pure c-CD due to codegradation of styrene and c-CD.