| Debasing explosive's sensitivity is a hot point in energy materials. This paperadvances the clue of debasing explosive's sensitivity by supramolecule. On the base ofcalix[8]arene nitro derivative's synthesis, carry though the researsh of supramoleculecomplex with RDX and HMX.1. Explore the affecting factor of synthesis of p-tert-calix[8]arene by single factorexperiment in 71％Yield. Optimal parameter: warming to backflow in 2h,temperature:140～145℃, reaction time 4h, m(NaOH):m(p-tertphenols)=1:33.2. Explore the affecting factor of synthesis calix[8]arene by single factor experimentin 82％Yield. Optimal parameter: m(p-tert-calix[8]arene):m(tertphenols):m(AlCl3)=1:9:12, temperature:45℃. The products Structure was charactered.3. P-nitro-calix[8]arene was synthesized in aqua forties,aqua forties-glacial aceticacid,forties-sulfuric acid, Yield is14％,32％,56％. The products Structure ischaractered by TLC,mp,IR and 1H NMR. Products purity in aqua forties high, butyield very low. Although the yield of products in aqua forties-glacial acetic acid ishigh, but it with some by-products, and demand much hour. The products yield inforties-sulfuric acid is the best. Although with some by-products too, but it canaccomplish in 1h. so the performance of forties-sulfuric acid had the best effect.4. The result of UV-visible spectrum in chloroform indicate that thep-nitro-calix[8]arene make the ultraviolet absorption augment, the quantity relativeratio is 1:1. We carry through the Structural optimization of host,guest andsupramolecule system by quantum chemistry half-empirical AM1 methods, gainedthermodynamic parameter in 5 temperature gradient from 288K to 408K.Contemporary, impetrate stability constant of supramolecule system in 5temperature gradient from 288K to 408K. as a result, the supramolecule complexof p-nitro-calix[8]arene and RDX and HMX by a series of hydrogen bond. By theascension of temperature, the stability constant Kw abasement.
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