Related Experiment Video
Updated: Aug 10, 2025
Hyperspectral Imaging as a Tool to Study Optical Anisotropy in Lanthanide-Based Molecular Single Crystals
Published on: April 14, 2020
CsHfF4(IO3): A Hafnium Iodate Exhibiting a Strong Second-Harmonic-Generation Effect and a Wide Band Gap Achieved by
Yu Huang1,2, Bing-Xuan Li1, Chun-Li Hu1
1State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, P. R. China.
Abstract:
A new polar hafnium iodate, CsHfF4(IO3), was successfully designed and synthesized by integrating fluorinated hafnium-oxygen polyhedra (HfF6O2) and IO3- anionic functional groups. Owing to the weak electronic effect of Hf4+ and the bond-network-induced out-of-center distortion of the HfF6O2 dodecahedra, CsHfF4(IO3) achieves a good balance between a strong second-harmonic-generation effect (3.5 × KH2PO4) and a rather large band gap (4.47 eV), which is the largest among the d0 transition-metal iodates. In addition, CsHfF4(IO3) possesses a wide transparent region (0.27-9.9 μm), a large birefringence for phase-matching (0.161), and a high laser-induced damage threshold (55.41 MW cm-2, 26 × AgGaS2) and is nonhygroscopic. This work indicates that the integration of mixed-ligand acentric coordination polyhedra and functional groups containing lone electron pairs is an effective strategy for developing novel inorganic nonlinear-optical materials with balanced overall properties.
Related Concept Videos
02:58Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
03:02Colors and Magnetism
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
02:42Valence Bond Theory
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...
02:37Metallic Solids
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
03:35Hybridization of Atomic Orbitals II