Park Ki-Min, Moon Cheol Joo, Paek Sanghyun, Kang Youngjin
Research Institute of Natural Science, Gyeongsang National University, Jinju 52828, Republic of Korea.
Department of Chemistry & Energy Engineering, Sangmyung University, Seoul 03016, Republic of Korea.
Acta Crystallogr E Crystallogr Commun. 2021 Jan 8;77(Pt 2):107-110. doi: 10.1107/S2056989021000128. eCollection 2021 Feb 1.
The title compound, [Pt(CHFNO)Cl], crystallizes with two crystallographically independent mol-ecules ( and ) in the asymmetric unit, which adopt similar conformations. The Pt 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 . In the crystal, C-H⋯Cl/F hydrogen bonds, F⋯π and weak π-π stacking inter-actions between adjacent and 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 plane. The sheets are stacked along the axis direction and linked by F⋯π and weak π-π stacking inter-actions between pairs of inversion-related 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 (λ = 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.
标题化合物[Pt(CHFNO)Cl]在不对称单元中结晶,含有两个晶体学独立的分子(A和B),它们具有相似的构象。两个分子中的Pt原子均采用扭曲的平面正方形几何构型,由来自三齿配体2',6'-二氟-6-[3-(吡啶-2-基氧基)苯基]-2,3'-联吡啶的一个C原子和两个N原子以及一个氯离子配位:C和Cl原子……。在晶体中,C—H⋯Cl/F氢键、F⋯π相互作用以及相邻A和B分子之间以及成对的反演相关B分子之间的弱π-π堆积相互作用导致形成一个平行于bc平面的二维超分子网络。这些片层沿a轴方向堆叠,并通过成对的反演相关A分子之间的F⋯π相互作用和弱π-π堆积相互作用相连,形成一个三维超分子网络。标题化合物在可见光区域的蓝绿色区域(λ = 517和544 nm)的光致发光量子效率估计约为0.2 - 0.3,表明标题化合物可能是有机发光二极管(OLED)应用中发光材料的合适候选物。