Molecular Structure and Mutual Recognition Between Host and Guest Molecules Found in the Crystal Structures of Oxacalix[4]arenes Complexed with Xylene Isomers

Abstract

The crystal structures of two complexes of oxacalix[4]arene derivatives {p-isopropyl-dihomooxacalix[4]arene (IOC-4)and p-tert-butyldihomooxacalix[4]arene(BOC-4)} with xylene isomers have been determined byX-ray diffraction method. Furthermore, in order toestimate the strength of the mutual interactionsbetween host (IOC-4 and BOC-4) and guest (o-, m-and p-xylene), the heat of complex formation forthe IOC-4 : xylene complexes was calculated using a molecularorbital method, and a differential scanningcalorimetric investigation was performed forthe BOC-4 : xylene complexes.