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 Pb(2+) cation is critical to producing the substantial NLO response and that the NLO activity is further enhanced by the presence of triply bidentate Te(6+) cations found in Te-O-O-Pb rings.
authors.affiliation: Department of Chemistry, University of Houston , 112 Fleming Building, Houston, Texas 77204-5003, United States.
authors.forename: Hongwei
authors.initials: H
authors.lastname: Yu
authors.affiliation: Department of Chemistry, University of Houston , 112 Fleming Building, Houston, Texas 77204-5003, United States.
authors.forename: Weiguo
authors.initials: W
authors.lastname: Zhang
authors.affiliation: Department of Materials Science and Engineering, Northwestern University , 2220 Campus Drive, Evanston, Illinois 60208-3108, United States.|Department of Materials Science and Engineering, Drexel University , 3141 Chestnut Street, Philadelphia, Pennsylvania 19102, United States.
authors.forename: Joshua
authors.initials: J
authors.lastname: Young
authors.affiliation: Department of Materials Science and Engineering, Northwestern University , 2220 Campus Drive, Evanston, Illinois 60208-3108, United States.
authors.forename: James M
authors.initials: JM
authors.lastname: Rondinelli
authors.affiliation: Department of Chemistry, University of Houston , 112 Fleming Building, Houston, Texas 77204-5003, United States.
authors.forename: P Shiv
authors.initials: PS
authors.lastname: Halasyamani