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Bidenticity-Enhanced Second Harmonic Generation from Pb Chelation in Pb3Mg3TeP2O14
Journal article   Open access   Peer reviewed

Bidenticity-Enhanced Second Harmonic Generation from Pb Chelation in Pb3Mg3TeP2O14

Hongwei Yu, Weiguo Zhang, Joshua Young, James M. Rondinelli and P. Shiv Halasyamani
Journal of the American Chemical Society, v 138(1)
13 Jan 2016
DOI: https://doi.org/10.1021/jacs.5b11712
PMID: 26687636
url
https://doi.org/10.1111/ajt.15863View
Published, Version of Record (VoR)CC BY-NC-ND V4.0,  Open

Abstract

Chemistry Chemistry, Multidisciplinary Physical Sciences Science & Technology
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 x KDP (600 x alpha-SiO2), and the shortest absorption edge (250 nm) of reported materials with a strong SHG response (>10 x KDP). PMTP has a three-dimensional crystal structure of corner-shared MgO4, PO4, and TeO6 polyhedra, which form a [TeMg3P2O14](infinity) framework. Electronic structure calculations revealed that the stereo-active 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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Domestic collaboration
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Chemistry, Multidisciplinary
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