Abstract
The title compound, [Pt(C21H12F2N3O)Cl], crystallizes with two crystallographically independent mol-ecules (A and B) in the asymmetric unit, which adopt similar conformations. The PtII atoms in both mol-ecules adopt distorted square-planar geometries, coordinated by one C and two N atoms from the tridentate 2',6'-di-fluoro-6-[3-(pyridin-2-yl-oxy)phen-yl]-2,3'-bi-pyridine ligand and a chloride anion: the C and Cl atoms are trans. In the crystal, C-H⋯Cl/F hydrogen bonds, F⋯π and weak π-π stacking inter-actions between adjacent A and B mol-ecules and between pairs of inversion-related B mol-ecules lead to the formation of a two-dimensional supra-molecular network lying parallel to the ab plane. The sheets are stacked along the c-axis direction and linked by F⋯π and weak π-π stacking inter-actions between pairs of inversion-related A mol-ecules, forming a three-dimensional supra-molecular network. The photoluminescence quantum efficiency of the title compound in the blue-green region of the visible region (λmax = 517 and 544 nm) is estimated to be ∼0.2-0.3, indicating that the title compound could be a suitable candidate as the emitting material in organic light-emitting diode (OLED) applications.
Highlights
The asymmetric unit of the title compound, Pt(C21H12F2N3O)Cl, contains two crystallographically independent molecules (A and B denote the Pt1- and Pt2containing molecules, respectively), which adopt similar conformations (Fig. 1 and Table 1)
The coordination sphere of the PtII atoms in both molecules is a distorted square-planar geometry, with the respective coordination sites occupied by one C and two N atoms from the 20,60-difluoro-6-[3-(pyridin-2yloxy)phenyl]-2,30-bipyridine ligand together with a chloride anion
An intramolecular ClÁ Á Á interaction [Cl1Á Á ÁCg4 = 3.4537 (19) A, Cl2Á Á ÁCg8 = 3.455 (2) A ; green dashed lines in Fig. 1; Cg4 and Cg8 are the centroids of the N3/C17–C21 and N6/C38–C42 rings, respectively] between the coordinated chloride ion and the pyridine ring with fluorine substituents are observed
Summary
The C,N-chelating 2,30-bipyridine-based transition-metal compounds have attracted much interest because of their wide applications as biological labels, photosensitizers in water reduction, sensors and organic light-emitting diodes (OLEDs) (Zaen et al, 2019a,b). To achieve blue emission in Pt-based triplet emitters, two strategies have been employed as follows: (i) incorporation of a high-triplet-energy moiety into the ligand framework; (ii) the breakage of -conjugation in the ligand to increase the energy gap (Fleetham et al, 2016; Kang et al, 2020). With these in mind, we have recently synthesized 20,60-difluoro-6-[3(pyridin-2-yloxy)phenyl]-2,30-bipyridine as a ligand with high triplet energy (Park et al, 2020).
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