A New Manganese(Ⅱ) Coordination Compound Constructed by 1,10-Phenanthroline Derivative and Chlorine Anions: Synthesis,Crystal Structure and Theoretical Calculation

The new manganese(Ⅱ) coordination compound, Mn(Cl)_2(L)_2](1, L = 11-fluorodipyrido3,2-a:2?,3?-c]phenazine), has been achieved under hydrothermal conditions. The structure of compound 1 was determined by single-crystal X-ray diffraction. 1 crystallizes in monoclinic system, space group C2/c with a = 8.419(2), b = 12.286(2), c = 28.451(6) ?, β = 95.889(3)°, V =2927.5(10) ?~3, Z = 4, C_(36) H_(16) MnF_2 Cl_2 N_8, M_r = 724.41, D_c = 1.644 g/cm~3, F(000) = 1460, μ(Mo Ka)= 0.691 mm~(-1), R = 0.0445 and wR = 0.0982. Adjacent compounds are stacked by one type of π-πinteraction among L ligands to generate a 1D supramolecular chain. Further, the 1D supramolecular chains are stacked by another type of π-π interaction among L ligands to give a 2D supramolecular layer. Moreover, the C-F···π interactions between the carbon atom of the L ligand and the pyrazine ring of the adjacent L ligand further stabilize the supramolecular layer of 1. In addition, natural bond orbital(NBO) analysis has been calculated by the B3LYP/LANL2DZ method, which shows obvious covalent interaction between the coordinated atoms and Mn(Ⅱ) ion.