Torsional Potential Energy Surfaces of Dinitrobenzene Isomers

Figure 1

Molecular structure of orthodinitrobenzene and definition of the coordinate system. The two-dimensional PESs depend on the angles and . The orthoisomer has the nitro groups at 1 and 2 positions, the metaisomer has them at 1,3, and the paraisomer has them at 1,4 (the figure was generated with the Avogadro software [11]).