Related Experiment Video
Updated: Jan 8, 2026
Hyperspectral Imaging as a Tool to Study Optical Anisotropy in Lanthanide-Based Molecular Single Crystals
Published on: April 14, 2020
Structural Symmetry and Mixed-anion Engineering in Halopnictides for Extraordinary Second-Harmonic Generation
Yi-Bing Huang1,2, Bin-Wen Liu1,3, Wen-Lin Wu1
1State Key Laboratory of Structural Chemistry, Fujian Institute of Research of the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002, P.R. China.
None:
Achieving high nonlinear optical (NLO) coefficients in NLO materials remains a significant challenge. Herein, based on the [Cd4P2] flexible host pore framework, through the structural symmetry and mixed-anion engineering, different tetrahedral units as the guest are selected as structural directing agents for embedding, resulting in host-guest halopnictides [Cd4P2][ZnCl4] (space group P21, 1), [Cd4P2][MnCl4] (P212121, 2), [Cd4P2][ZnBr4] (Pna21, 3), [Cd4P2][Mn0.6Cd0.4Br4] (Pna21, 4), and [Cd4P2][ZnCl3I] (Pna21, 5). Notably, we enhance sharply second-harmonic generation (SHG) responses (0∼6.6 × AgGaS2@1700 nm) by synergistically disrupting local symmetry through host framework porosity tuning (54.1% to 63.1%) and constructing polarizable polyhedra via mixed-anion modulations. Furthermore, millimeter-sized single-crystal (3.0 × 5.0 × 8.0 mm3) 3 is successfully obtained, and possesses a strong SHG response (2.5 × AgGaS2), a high laser-induced damage threshold (3.0 × AgGaS2@1064 nm), and broad infrared transmittance (2.5-14.9 µm), indicating the possible promise as a NLO material. This work offers valuable insights for the development of NLO materials through combined structural symmetry and mixed-anion engineering.
Related Concept Videos
02:52Stereoisomerism
Isomers are different chemical species that have the same chemical formula.
Transition metal complexes often exist as geometric isomers, in which the same atoms are connected through the same types of bonds but with differences in their orientation in space. Coordination complexes with two different ligands in the cis and trans positions from a ligand of interest form isomers. For example, the octahedral [Co(NH3)4Cl2]+ ion has two isomers (Figure 1) In the cis...
02:42Ionic Crystal Structures
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
02:46Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
02:42Valence Bond Theory
03:35Hybridization of Atomic Orbitals II
02:30Chirality at Nitrogen, Phosphorus, and Sulfur
A consequence of chirality is the need for enantiomeric resolution. While this is theoretically possible for all...