Synthesis and characterization of the first tin fluoride borate Sn3[B3O7]F with second harmonic generation response

  • The new non-centrosymmetric tin fluoride borate Sn3[B3O7]F was synthesized hydrothermally, and was characterized by single-crystal and powder X-ray diffraction, vibrational spectroscopy, DFT calculations, second harmonic generation (SHG) measurements, thermogravimetry, and differential scanning calorimetry. Its SHG response is about 12 times that of quartz. The compound crystallizes in the non-centrosymmetric orthorhombic space group Pna21 with lattice parameters a=922.4(2), b=769.8(4), and c=1221.9(6) pm (Z=4). Characteristic for the structure are isolated B3O7 moieties, consisting of two corner-sharing BO3 units and one BO4 tetrahedron. These occupy half of the octahedral voids of a slightly distorted hexagonal closest packing of Sn2+ atoms, with [SnF]+ units in the other half of the octahedral voids. Sn3[B3O7]F is transparent over a wide spectral range with a UV cut-off edge at about 263 nm.

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Metadaten
Author:Sandra Schönegger, Stephan G. Jantz, Andreas Saxer, Lkhamsuren Bayarjargal, Björn Winkler, Florian Pielnhofer, Henning A. HöppeORCiDGND, Hubert Huppertz
URN:urn:nbn:de:bvb:384-opus4-457804
Frontdoor URLhttps://opus.bibliothek.uni-augsburg.de/opus4/45780
ISSN:0947-6539OPAC
Parent Title (English):Chemistry - A European Journal
Publisher:Wiley
Type:Article
Language:English
Year of first Publication:2018
Publishing Institution:Universität Augsburg
Release Date:2019/01/02
Tag:General Chemistry
Volume:24
Issue:60
First Page:16036
Last Page:16043
DOI:https://doi.org/10.1002/chem.201803478
Institutes:Mathematisch-Naturwissenschaftlich-Technische Fakultät
Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik
Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik / Lehrstuhl für Festkörperchemie
Dewey Decimal Classification:5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften
Licence (German):CC-BY 4.0: Creative Commons: Namensnennung (mit Print on Demand)