The formation of spin triplet ground states in the 3d6 configuration of transition metal complexes is investigated within D4h and D3d symmetries. Employing as a basis the state functions resulting from the cubic 5T2g(t2g4eg2), 1A1g(t2g6, 3T1g(t2g5eg), and 3T2g(t2g5eg) terms it is demonstrated that, in D4h symmetry, the triplet states 3A2, 3B2, 3E(3T1), and 3E(3T2) may be stabilized as ground
... [Show full abstract] states. On the other hand, only the 3E(3T1) state may become ground state if the symmetry is D3d. Diagrams showing the ground state boundaries, in D4h symmetry, as function of the parameters Dq, Dt, and χ = Ds/Dt are represented. In D3d symmetry, Dq, Dτ, and χ = Dσ/Dτ are equally employed. The relevance of the present calculations to available experimental data is discussed.