Bidenticity-Enhanced Second Harmonic Generation from Pb Chelation in Pb3Mg3TeP2O14

Hongwei Yu; Weiguo Zhang; Joshua Young; James M. Rondinelli; P. Shiv Halasyamani

doi:10.1021/jacs.5b11712

Bidenticity-Enhanced Second Harmonic Generation from Pb Chelation in Pb₃Mg₃TeP₂O₁₄

Hongwei Yu, Weiguo Zhang, Joshua Young, James M. Rondinelli, P. Shiv Halasyamani

Research output: Contribution to journal › Article › peer-review

144 Scopus citations

Abstract

A new ultraviolet nonlinear optical (NLO) material, Pb₃Mg₃TeP₂O₁₄ (PMTP), has been synthesized and characterized. The chiral material exhibits a large second harmonic generation (SHG) response of 13.5 × KDP (600 × α-SiO₂), and the shortest absorption edge (250 nm) of reported materials with a strong SHG response (>10 × KDP). PMTP has a three-dimensional crystal structure of corner-shared MgO₄, PO₄, and TeO₆ polyhedra, which form a [TeMg₃P₂O₁₄]_∞ framework. Electronic structure calculations revealed that the stereoactive lone pair on the Pb²⁺ cation is critical to producing the substantial NLO response and that the NLO activity is further enhanced by the presence of triply bidentate Te⁶⁺ cations found in Te-O-O-Pb rings.

Original language	English (US)
Pages (from-to)	88-91
Number of pages	4
Journal	Journal of the American Chemical Society
Volume	138
Issue number	1
DOIs	https://doi.org/10.1021/jacs.5b11712
State	Published - Jan 13 2016
Externally published	Yes

All Science Journal Classification (ASJC) codes

Catalysis
General Chemistry
Biochemistry
Colloid and Surface Chemistry

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title = "Bidenticity-Enhanced Second Harmonic Generation from Pb Chelation in Pb3Mg3TeP2O14",

abstract = "A new ultraviolet nonlinear optical (NLO) material, Pb3Mg3TeP2O14 (PMTP), has been synthesized and characterized. The chiral material exhibits a large second harmonic generation (SHG) response of 13.5 × KDP (600 × α-SiO2), and the shortest absorption edge (250 nm) of reported materials with a strong SHG response (>10 × KDP). PMTP has a three-dimensional crystal structure of corner-shared MgO4, PO4, and TeO6 polyhedra, which form a [TeMg3P2O14]∞ framework. Electronic structure calculations revealed that the stereoactive lone pair on the Pb2+ cation is critical to producing the substantial NLO response and that the NLO activity is further enhanced by the presence of triply bidentate Te6+ cations found in Te-O-O-Pb rings.",

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AU - Yu, Hongwei

AU - Zhang, Weiguo

AU - Young, Joshua

AU - Rondinelli, James M.

AU - Halasyamani, P. Shiv

PY - 2016/1/13

Y1 - 2016/1/13

N2 - A new ultraviolet nonlinear optical (NLO) material, Pb3Mg3TeP2O14 (PMTP), has been synthesized and characterized. The chiral material exhibits a large second harmonic generation (SHG) response of 13.5 × KDP (600 × α-SiO2), and the shortest absorption edge (250 nm) of reported materials with a strong SHG response (>10 × KDP). PMTP has a three-dimensional crystal structure of corner-shared MgO4, PO4, and TeO6 polyhedra, which form a [TeMg3P2O14]∞ framework. Electronic structure calculations revealed that the stereoactive lone pair on the Pb2+ cation is critical to producing the substantial NLO response and that the NLO activity is further enhanced by the presence of triply bidentate Te6+ cations found in Te-O-O-Pb rings.

AB - A new ultraviolet nonlinear optical (NLO) material, Pb3Mg3TeP2O14 (PMTP), has been synthesized and characterized. The chiral material exhibits a large second harmonic generation (SHG) response of 13.5 × KDP (600 × α-SiO2), and the shortest absorption edge (250 nm) of reported materials with a strong SHG response (>10 × KDP). PMTP has a three-dimensional crystal structure of corner-shared MgO4, PO4, and TeO6 polyhedra, which form a [TeMg3P2O14]∞ framework. Electronic structure calculations revealed that the stereoactive lone pair on the Pb2+ cation is critical to producing the substantial NLO response and that the NLO activity is further enhanced by the presence of triply bidentate Te6+ cations found in Te-O-O-Pb rings.

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Bidenticity-Enhanced Second Harmonic Generation from Pb Chelation in Pb₃Mg₃TeP₂O₁₄

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