A new Pb(II)
coordination polymer, [Pb(adip)(L)
2]
n (
1, H
2adip = adipic
acid, L = 2-(4-N,N΄- dimethylphenyl)- 1-H-imidazo[4,5-
f][1,10]
phenanthroline), was synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction, powder
XRD, FT-IR, thermogravimetric, fluorescence spectrum and elemental analysis techniques. Complex
1 crystallizes in triclinic system,
space group
P with
a =
11.406(3),
b = 12.036(4),
c = 17.520(5) Å,
V = 2228.3(11)
Å
3,
Mr = 1028.09,
Dc =
1.532 g·cm
-3,
F(000) = 1024,
μ(Mo
Kα)
= 3.842,
Rint =
0.0274 and
Z = 2. The final
R = 0.1055 and
wR = 0.3277 for 6954 observed
reflections with
I > 2
σ(
I). It features a one-dimensional chain linked by adip
2- ligand. Moreover, complex
1 exhibits
strong green luminescence with emission peak of 514 nm. In addition, the quantum-chemical
calculations were accomplished on ΄molecular fragments΄ extracted from the
crystal structure of
1 using the PBE0/LANL2DZ method built in Gaussian 16
Program. The calculation values denoted the
distinct covalent interaction between the coordinated atoms and Pb(II) ion.