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Borate Hydrides as a New Material Class: Structure, Computational Studies, and Spectroscopic Investigations on Sr 5 (BO 3 ) 3 H and Sr 5 ( 11 BO 3 ) 3 D
Author(s) -
Wylezich Thomas,
Valois Renaud,
Suta Markus,
Mutschke Alexander,
Ritter Clemens,
Meijerink Andries,
Karttunen Antti J.,
Kunkel Nathalie
Publication year - 2020
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.202002273
Subject(s) - hydride , boron , hydroxide , raman spectroscopy , ion , chemistry , inorganic chemistry , ionic bonding , hydrogen , analytical chemistry (journal) , physics , organic chemistry , chromatography , optics
The unprecedented borate hydride Sr 5 (BO 3 ) 3 H and deuteride Sr 5 ( 11 BO 3 ) 3 D crystallizing in an apatite‐related structure are reported. Despite the presence of hydride anions, the compound decomposes only slowly in air. Doped with Eu 2+ , it shows broad‐band orange‐red emission under violet excitation owing to the 4f 6 5d–4f 7 transition of Eu 2+ . The observed 1 H NMR chemical shift is in good agreement with previously reported 1 H chemical shifts of ionic metal hydrides as well as with quantum chemical calculations and very different from 1 H chemical shifts usually found for hydroxide ions in similar materials. FTIR and Raman spectroscopy of different samples containing 1 H, 2 H, nat B, and 11 B combined with calculations unambiguously prove the absence of hydroxide ions and the sole incorporation of hydride ions into the borate. The orange‐red emission obtained by doping with Eu 2+ shows that the new compound class might be a promising host material for optical applications.