Abstract
Via CNDO-SCF calculations, the charge densities, ionization potentials, electron affinities and dipole moments were calculated for trinitrobenzene, TNB, trinitrotoluene, TNT, and picric acid using the closed shell system eigenvectors. Also, the electronic energies, total energies and binding energies of ground state of these compounds have been calculated.
Rhenium-Picric acid complex was prepared and characterized by HPLC.