On the Stability of Trimeric Beryllium Hydroxide Scorpionate Complexes

On the Stability of Trimeric Beryllium Hydroxide Scorpionate Complexes

The controlled hydrolysis of TpBeCl {Tp = trispyrazolylborate [HB(C3N2H3)3]–} with H2O and D2O in the presence of N,N‐diisopropylethylamine (DIPEA) yields the trimeric beryllium hydroxide scorpionate complexes [Be3(µ‐OX)3(Tp)3] (X = H: 1, D: 2) quantitatively. The complexes contain six‐membered Be3O...

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Veröffentlicht in:European journal of inorganic chemistry 2016-06, Vol.2016 (15-16), p.2424-2431
Hauptverfasser: Naglav, Dominik, Tobey, Briac, Wölper, Christoph, Bläser, Dieter, Jansen, Georg, Schulz, Stephan
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Sprache:eng
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Beryllium
Density functional calculations
Scorpionate ligands
Structure elucidation
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container_issue 15-16
container_start_page 2424
container_title European journal of inorganic chemistry
container_volume 2016
creator Naglav, Dominik
Tobey, Briac
Wölper, Christoph
Bläser, Dieter
Jansen, Georg
Schulz, Stephan
description The controlled hydrolysis of TpBeCl {Tp = trispyrazolylborate [HB(C3N2H3)3]–} with H2O and D2O in the presence of N,N‐diisopropylethylamine (DIPEA) yields the trimeric beryllium hydroxide scorpionate complexes [Be3(µ‐OX)3(Tp)3] (X = H: 1, D: 2) quantitatively. The complexes contain six‐membered Be3O3 rings according to single‐crystal X‐ray diffraction studies and theoretical calculations. Temperature‐dependent 1H and 9Be NMR spectroscopy established that 1 has a dynamic structure in solution. In addition, the structure of [Be3(µ‐OH)3(Br)3(thf)6], which was obtained from hydrolysis of a solution of BeBr2 in tetrahydrofuran and CHCl3, is reported. Two trimeric beryllium hydroxide scorpionate complexes [Be3(µ‐OX)3(Tp)3] (X = H: 1, D: 2) and [BeBr3(µ‐OH)3(Br)3(thf)6] were structurally characterized. The six‐membered Be3O3 ring of 1 is stable in both solution and the gas phase as was shown by temperature‐dependent 1H and 9Be NMR spectroscopy and theoretical calculations.
doi_str_mv 10.1002/ejic.201501433
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Two trimeric beryllium hydroxide scorpionate complexes [Be3(µ‐OX)3(Tp)3] (X = H: 1, D: 2) and [BeBr3(µ‐OH)3(Br)3(thf)6] were structurally characterized. The six‐membered Be3O3 ring of 1 is stable in both solution and the gas phase as was shown by temperature‐dependent 1H and 9Be NMR spectroscopy and theoretical calculations.</abstract><pub>Blackwell Publishing Ltd</pub><doi>10.1002/ejic.201501433</doi><tpages>8</tpages><orcidid>https://orcid.org/0000-0003-2896-4488</orcidid></addata></record>
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subjects Beryllium
Density functional calculations
Scorpionate ligands
Structure elucidation
title On the Stability of Trimeric Beryllium Hydroxide Scorpionate Complexes
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