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 [CHNO]CdCl based on combinations of the d metal cation (Cd) and choline chloride molecules. [CHNO]CdCl single crystals belong to the orthorhombic 2 space group and show a one-dimensional (1D) structure with distorted [CdClO] octahedra. The second harmonic generation (SHG) response of [CHNO]CdCl exhibits an intensity of approximately 0.4 × KDP. Moreover, the photoluminescence properties of the [CHNO]CdCl crystal are activated by doping with Sn ions having stereochemically active lone pair 5s 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.
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