2015
DOI: 10.1021/jacs.5b05406
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Pb2Ba3(BO3)3Cl: A Material with Large SHG Enhancement Activated by Pb-Chelated BO3 Groups

Abstract: Pb(II) has long been associated with lone pair activity and is often substituted in alkali earth metal borates to create new nonlinear optical (NLO) materials with enhanced second harmonic generation (SHG) capabilities. However, large enhancement in isomorphic Pb-free analogues is rare. Here we report a new NLO material Pb2Ba3(BO3)3Cl with a phase-matching SHG response approximately 3.2× that of KDP and 6× higher than its isomorphic compound Ba5(BO3)3Cl. We show that the enhanced SHG response originates from a… Show more

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Cited by 263 publications
(138 citation statements)
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“…During past few years, several borate halide NLO materials with excellent second harmonic generation (SHG) properties have been reported: KBe 2 BO 3 F 2 (KBBF), Ba 4 B 11 O 20 F, Rb 3 Al 3 B 3 O 10 F, M 3 M′ 3 Li 2 Al 4 B 6 O 20 F (M=K + , Rb + ; M′=Sr 2+ , Ba 2+ ), Ca 5 (BO 3 ) 3 F, BaCaBO 3 F, M 3 B 6 O 11 F 2 , Pb 2 Ba 3 (BO 3 ) 3 Cl, K 3 B 6 O 10 Cl, Pb 2 B 5 O 9 I . Recently, some fluoroborates, such as LiB 6 O 9 F, NH 4 B 4 O 6 F, CsB 4 O 6 F, and AB 4 O 6 F (A=K, Rb, and Cs) show promise as deep‐UV NLO materials.…”
Section: Figurementioning
confidence: 99%
“…During past few years, several borate halide NLO materials with excellent second harmonic generation (SHG) properties have been reported: KBe 2 BO 3 F 2 (KBBF), Ba 4 B 11 O 20 F, Rb 3 Al 3 B 3 O 10 F, M 3 M′ 3 Li 2 Al 4 B 6 O 20 F (M=K + , Rb + ; M′=Sr 2+ , Ba 2+ ), Ca 5 (BO 3 ) 3 F, BaCaBO 3 F, M 3 B 6 O 11 F 2 , Pb 2 Ba 3 (BO 3 ) 3 Cl, K 3 B 6 O 10 Cl, Pb 2 B 5 O 9 I . Recently, some fluoroborates, such as LiB 6 O 9 F, NH 4 B 4 O 6 F, CsB 4 O 6 F, and AB 4 O 6 F (A=K, Rb, and Cs) show promise as deep‐UV NLO materials.…”
Section: Figurementioning
confidence: 99%
“…Although exploitation of LEPs has been an intense study of metal borates characterizations of LEPs using the Wang‐Liebau eccentricity (WLE) parameter and the Liebau density vector (LDV) are recent but important developments. The WLE parameter has been calculated for each crystallographic independent bismuth atom (Bi(1), Bi(2), Bi(3), and Bi(4)) from the low‐temperature neutron diffraction data of the crystal structures.…”
Section: Resultsmentioning
confidence: 99%
“…The position and directionality of lone pair electrons in Pb 2+ depends on the nature of ligands thus dictate the hemi‐directed coordination mode. The importance of lone pair activity and identifying the lone pair in Pb 2+ systems were reported for understanding the structural chemistry, coordination modes and various applications including the enhancement of second harmonic generation response for NLO materials and electrochemical properties …”
Section: Introductionmentioning
confidence: 99%
“…The importance of lone pair activity and identifying the lone pair in Pb 2+ systems were reported for understanding the structural chemistry, coordination modes and various applications including the enhancement of second harmonic generation response for NLO materials and electrochemical properties. [2,3,8,13,[23][24][25][26][27][28][29][30][31][32][33][34] The coordination patterns of Pb 2+ with different ligands have been reported elsewhere as referred above. The theoretical investigation of ligand systems with Pb 2+ [14,[16][17][18]22,33,[35][36][37] It had been reported that Pb 2+ followed both holo-and hemi-directed geometries, in some cases lacunary geometries were also reported.…”
Section: Introductionmentioning
confidence: 99%