We have used an ab initio SCF molecular orbital approach in conjunction with the isodesmic reaction procedure to investigate anomalous energy effects in strained aza systems and some of their nitro derivatives. The introduction of nitrogens into strained molecular frameworks is found to confer added degrees of stability. In general this increases with the number of nitrogens in a series of simi...

nitration of phenol and various 4-substituted phenols with cu(no3)2.3h2o, cu(no3)2.3h2o/sio2, 9h2o and cr(no3)2. 9h2o in different anhydrous organic solvents are investigated. high selectivity ratio of para vs ortho isomers has been observed. mono- and dinitro compounds from phenol and 4-substituted phenols by choosing the proper solvents and reaction conditions, are also obtained with high sel...

In this paper we elected to nitrate p-xylene because this compound has only one mononitro- and trinitro- isomer. Trinitro-p-xylene was used as a starting material for the synthesis of other compounds in subsequent work. The mononitration of p-xylene can be easily carried out at 30 degrees C. Nitro-p-xylene is easily nitrated to dinitro-p-xylene at a temperature of 80 degrees C. The trinitro-p-x...

Nitration of phenol and various 4-substituted phenols with Cu(NO3)2.3H2O, Cu(NO3)2.3H2O/SiO2, 9H2O and Cr(NO3)2. 9H2O in different anhydrous organic solvents are investigated. High selectivity ratio of para vs ortho isomers has been observed. Mono- and dinitro compounds f...