Abstract
The N 28 cluster type molecule with T d point group has been studied for the first time. Two reliable semiempirical methods, PM3 and AM1, were applied in this theoretical study. Geometrical optimization, vibrational frequencies and thermal chemical calculations are reported and all the results indicate that N 28 is a stable molecule. Three kinds of nitrogen atom and three types of NN bond are identified in this T d structure. A comparison of the optimized bond distances, first ionization potentials and the average bond energies between N 28 and N 20 showed that the structural behavior of these two cluster type molecules is quite similar. Both belong to the category of stable high energy compounds.
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