Reversible Rearrangements of 2,4,6-Trinitrophehyl Group in an Amidine System

Tautomeric 1,3-N, N′-migrations of 2,4,6-trinitrophenyl group in the derivatives of N, N′-diarylbenzamidine and N, N′-diarylformamidine have been studied by quantum-chemical simulations using the B3LYP/6-311++G(d, p) method of density functional theory.