GUEST HOST INTERACTIONS IN HIGH-SILICA ZEOLITE SYNTHESIS - [5.2.1.0(2.6)]TRICYCLODECANES AS TEMPLATE MOLECULE/

Zeolite synthesis results for the use of a family of related quaternar y ammonium derivatives of tricyclodecane hydrocarbons as structure-dir ecting agents are described. The work continues our interest in how ri gid polycyclic hydrocarbons, as charged derivatives, occupy space in d eveloping guest/host zeolite lattices. The zeolite product chemistry w as probed as to the three-dimensional structures formed, particularly in relation to synthesis variables like boron substitution for silicon in the lattice, OH-/SiO2 reactant concentration, and the stereochemis try of the polar substituents off the tricyclo[5.2.1.0(2,6)]decane hyd rocarbon frame; all three factors were found to have an impact on the zeolites which crystallized. Some correlations were also studied for h ow these factors influenced the size and architecture of the resulting pore systems. Monte Carlo methods were also applied to calculate favo rable docking energies for geometry-optimized organo-cations placed in the host lattices.