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Issue 38, 2015
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Synthesis and optical properties of the first lead borate bromide with isolated BO3 groups: Pb2Ba3(BO3)3Br

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Abstract

Single crystals of a new compound Pb2Ba3(BO3)3Br have been grown by a spontaneous crystallization method. They crystallize in the noncentrosymmetric orthorhombic space group C2221 with isolated BO3 triangles and distorted PbO polyhedra. UV-Vis-NIR diffused reflectance spectroscopy measurements indicate that the absorption edge is at 326 nm. Second-harmonic generation (SHG) measurements using 1064 nm radiation show that Pb2Ba3(BO3)3Br exhibits relative large NLO response about 3.1× that of KH2PO4 (KDP) and is type I phase-matchable. First-principles electronic structure calculations show that the isolated BO3 groups and PbO4 polyhedra play an important role in the total SHG response.

Graphical abstract: Synthesis and optical properties of the first lead borate bromide with isolated BO3 groups: Pb2Ba3(BO3)3Br

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Publication details

The article was received on 13 Jul 2015, accepted on 18 Aug 2015 and first published on 18 Aug 2015


Article type: Paper
DOI: 10.1039/C5DT02652K
Citation: Dalton Trans., 2015,44, 16818-16823
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    Synthesis and optical properties of the first lead borate bromide with isolated BO3 groups: Pb2Ba3(BO3)3Br

    Q. Jing, X. Dong, Z. Yang and S. Pan, Dalton Trans., 2015, 44, 16818
    DOI: 10.1039/C5DT02652K

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