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Rational Design of the Metal‐Free KBe 2 BO 3 F 2 ⋅(KBBF) Family Member C(NH 2 ) 3 SO 3 F with Ultraviolet Optical Nonlinearity
Author(s) -
Luo Min,
Lin Chensheng,
Lin Donghong,
Ye Ning
Publication year - 2020
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.202006671
Subject(s) - ultraviolet , materials science , metal , tetrahedron , nonlinear optical , cationic polymerization , crystallography , birefringence , crystal structure , analytical chemistry (journal) , chemistry , optics , optoelectronics , physics , nonlinear system , quantum mechanics , polymer chemistry , metallurgy , chromatography
The first fluorosulfonic ultraviolet (UV) nonlinear optical (NLO) material, C(NH 2 ) 3 SO 3 F, is rationally designed by taking KBe 2 BO 3 F 2 (KBBF) as the parent compound. C(NH 2 ) 3 SO 3 F features similar topological layers as KBBF by replacing inorganic (BO 3 ) 3− with organic C(NH 2 ) 3 + trigonal units and BeO 3 F with SO 3 F − tetrahedra. Therefore, C(NH 2 ) 3 SO 3 F is a metal‐free UV NLO crystal. Benefiting from the coplanar configuration of the C(NH 2 ) 3 + cationic groups, it possesses a large SHG response of 5×KDP and moderate birefringence of 0.133@1064 nm. Besides, it has a short UV cutoff edge of 200 nm. The calculated results reveal the shortest SHG phase‐matching wavelengths can reach 200 nm. These findings highlight the exploration of metal‐free compounds as nontoxic and low‐cost UV NLO materials as a new research area.