Cs3Pb2(CH3COO)2X5 (X=I, Br): Halides with Strong Second‐Harmonic Generation Response Induced by Acetate Groups. Issue 4 (24th November 2020)

• Record Type: Journal Article
• Authors: Shui, Qi‐Rui; Tang, Hong‐Xin; Fu, Rui‐Biao; Fang, Yuan‐Bin; Ma, Zu‐Ju; Wu, Xin‐Tao
• Is Part Of: Angewandte Chemie international edition. Volume 60:Issue 4(2021)
• Page Start: 2116
• Page End: 2119
• Publication Date: 2020-11-24
• Subjects: acetate -- halides -- non-centrosymmetric -- nonlinear optical crystals -- second harmonic generation; Chemistry -- Periodicals; 540
• DOI: 10.1002/anie.202013088
• Languages: English
• ISSNs: 1433-7851

Abstract

Abstract: Nonlinear optical (NLO) crystals are the key component in solid‐state lasers. New second‐harmonic generation (SHG) effective halides, Cs3 Pb2 (CH3 COO)2 X5 (X=I, Br), have been rationally synthesized by introducing acetate groups into lead halide perovskites under moderate solvothermal conditions. Cs3 Pb2 (CH3 COO)2 X5 (X=I, Br) feature highly oriented anionic chains constructed by distorted [PbX4 O2 ] (X=I, Br) polyhedrons. Both the theoretical studies and the dipole moment calculations uncover that their SHG effects are mainly originated from the distorted [PbX4 O2 ] (X=I, Br) polyhedrons. Remarkably, Cs3 Pb2 (CH3 COO)2 I5 exhibits strong phase‐matching SHG response (8×KDP) and large birefringence (0.26@ 1064 nm). Moreover, Cs3 Pb2 (CH3 COO)2 X5 (X=I, Br) also possess high laser damage threshold (LDT) which are almost 27 and 41 times that of AgGaS2, respectively. Abstract : Cs3 Pb2 (CH3 COO)2 X5 (X=I, Br) featuring 1D highly oriented chain with strong second harmonic generation response are designed by rationally converting the idealized [PbX6 ] octahedron into the distorted [PbX4 O2 ] polyhedron.