Pb₂BO₃Cl: A Tailor‐Made Polar Lead Borate Chloride with Very Strong Second Harmonic Generation

Abstract

A meticulously designed, polar, non-centrosymmetric lead borate chloride, Pb2 BO3 Cl, was synthesized using KBe2 BO3 F2 (KBBF) as a model. Single-crystal X-ray diffraction revealed that the structure of Pb2 BO3 Cl consists of cationic [Pb2 (BO3 )](+) honeycomb layers and Cl(-) anions. Powder second harmonic generation (SHG) measurements on graded polycrystalline Pb2 BO3 Cl indicated that the title compound is phase-matchable (type I) and exhibits a remarkably strong SHG response, which is approximately nine times stronger than that of potassium dihydrogen phosphate, and the largest efficiency observed in materials with structures similar to KBBF. Further characterization suggested that the compound melts congruently at high temperature and has a wide transparency window from the near-UV to the mid-IR region.

Lead Mixed Oxyhalides Satisfying All Fundamental Requirements for High‐Performance Mid‐Infrared Nonlinear Optical Materials

“…[18] By doing so,quite afew candidates for UV/DUV NLO materials have been discovered. [19] Meanwhile,an umber of recently reported crystals with outstanding properties such as Pb 2 BO 3 Cl, [20] Cs 3 VO-(O 2 ) 2 CO 3 , [21] Bi 3 Te BO 9 , [22] APbCO 3 F( A = Rb,C s), [23] and BiFSeO 3 [24] should be good candidates as visible/near-IR NLO materials.Incontrast, in the mid-IR region (2.0-20 mm), af ew NLO materials such as AgGaS 2 , [25] AgGaSe 2 , [25] and ZnGeP 2 [26] are commercially available to date.However,they all suffer from some demerits such as low LDT and difficulty in crystal growth. Therefore,wide applications of the present materials have been severely hindered.…”

From LiB3O5 to NaRbB6O9F2: Fluorine‐Directed Evolution of Structural Chemistry

“…Boratesh ave always attractedt he intense interest of researchers because of their wide applications as variousf unctionalo ptical materials. [1][2][3][4][5][6][7][8] These excellent properties of borates can be attributed to their diverses tructures. [1a, 9] According to the literature, [10][11][12][13][14][15] the Ba toms can be coordinated to three or four O atoms to construct the BO 3 or BO 4 group.…”

“…[1a, 9] According to the literature, [10][11][12][13][14][15] the Ba toms can be coordinated to three or four O atoms to construct the BO 3 or BO 4 group. The BO 3 and BO 4 groups may be furtherc onnected via oxygen atoms to form isolated clusters,o ne-dimensional (1D) chains,2 Dl ayers, or 3D networks, resulting in the rich structural chemistry.…”

A Promising Fluorooxoborate Framework with Flexibile Capability for Diverse Cations to Enhance the Second Harmonic Generation

“…), polyhedra with active lone pair electrons of n s 2 (Te 4+ , Se 4+ , Bi 3+ , Pb 2+ , etc. ), or d 10 cation centres (Cd 2+ , Zn 2+ , etc. ) with polar displacement, are considered as basic building units of novel NLO materials .…”