Sn(ii)-doped one-dimensional hybrid metal halide [C5H14NO]CdCl3 single crystals with broadband greenish-yellow light emission. Issue 4 (5th January 2023)

• Record Type: Journal Article
• Authors: Cheng, Haiming; Cao, Chi; Teng, Shiyong; Zhang, Zhinan; Zhang, Ying; Wang, Dayang; Yang, Wensheng; Xie, Renguo
• Is Part Of: Dalton transactions. Volume 52:Issue 4(2023)
• Page Start: 1021
• Page End: 1029
• Publication Date: 2023-01-05
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/d2dt03697e
• Languages: English
• ISSNs: 1477-9226

Abstract

Abstract : The cadmium-based organic–inorganic hybrid [C5 H14 NO]CdCl3 is a potential nonlinear optical material. In addition, Sn 2+ -doped [C5 H14 NO]CdCl3 exhibits bright greenish-yellow light emission. Abstract : Low-dimensional organic–inorganic hybrid halides, as an important branch of metal halide materials, have attracted much attention due to their excellent photoelectric properties. Herein, we designed one new hybrid cadmium chloride [C5 H14 NO]CdCl3 based on combinations of the d 10 metal cation (Cd 2+ ) and choline chloride molecules. [C5 H14 NO]CdCl3 single crystals belong to the orthorhombic Pna 21 space group and show a one-dimensional (1D) structure with distorted [CdCl5 O] 5− octahedra. The second harmonic generation (SHG) response of [C5 H14 NO]CdCl3 exhibits an intensity of approximately 0.4 × KDP. Moreover, the photoluminescence properties of the [C5 H14 NO]CdCl3 crystal are activated by doping with Sn 2+ ions having stereochemically active lone pair 5s 2 electrons. Under UV excitation conditions, bright greenish-yellow light emission can be observed, and the quantum efficiency (PLQY) is as high as 91.27%. The luminescence mechanism is revealed by combining the results of temperature dependent luminescence and density functional theory (DFT) calculation. This work can serve as a guide for the design and synthesis of emerging optical materials.