ON THE CRYSTALLIZATION MECHANISM OF ZEOLITE ZSM-5 .2. MNDO CALCULATIONS OF BASIC CHARACTERISTICS OF SOME DIAMINES USED AS TEMPLATES

The basic characteristics of the C2, C3, C4, and C6 diamines and TPA w ere calculated, The high dipole moment, the minimum ionization potenti al, and the short dimension of diaminoethane and diaminopropane are th e reasons for the high effectiveness. The MNDO calculation of the C2-C 6 diamines and TPA can be used for predictions of the effect of templa tes in zeolite synthesis. The correlations were obtained between kinet ic parameters of the crystallization of ZSM-5 and basic characteristic s of the calculated molecules.