Sn(ii)-doped one-dimensional hybrid metal halide [C5H14NO]CdCl3 single crystals with broadband 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 [C₅H₁₄NO]CdCl₃ based on combinations of the d¹⁰ metal cation (Cd²⁺) and choline chloride molecules. [C₅H₁₄NO]CdCl₃ single crystals belong to the orthorhombic Pna2₁ space group and show a one-dimensional (1D) structure with distorted [CdCl₅O]⁵⁻ octahedra. The second harmonic generation (SHG) response of [C₅H₁₄NO]CdCl₃ exhibits an intensity of approximately 0.4 × KDP. Moreover, the photoluminescence properties of the [C₅H₁₄NO]CdCl₃ crystal are activated by doping with Sn²⁺ ions having stereochemically active lone pair 5s² 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.