Lewis-Base Adduct of Iodo-Bridged Lead(II) Compound Constructed From Phenanthroline Derivative: Structure and Properties.

A new Lewis-base adduct of the iodo-bridged lead(II) compound {[PbI2(DPP)]·DMF} n (1) (DPP = 4,7-diphenyl-1,10-phentheanthroline) has been synthesized and structurally determined. The compound 1 crystallizes in the monoclinic system, space group P21/a, with unit cell parameters a = 9.1129(3), b = 24.0033(5), c = 24.4016(6) Å, β = 95.9460(9)°, V = 5308.9(2) Å3, Z = 8, M r = 866.48, D c = 2.168g/cm3, F(000) = 3216, μ(MoKα) = 8.706, and the final R = 0.0373 and wR = 0.0902 for 9408 observed reflections with I ≥ 2σ(I). In 1, the lead centers are in a distorted octahedral environment with stereochemical active 6s2 lone pair, and a one-dimensional chain via edge-sharing of PbI4N2 octahedra can be observed. Furthermore, π···π interaction and hydrogen bonds contribute to the formation of a three-dimensional (3-D) network. The optical band gap of 1 is 2.66 eV, judged from the absorption spectrum. Its fluorescence has also been discussed. Density function theory (DFT) calculation was executed for its electronic structure. [ABSTRACT FROM AUTHOR]