The Elusive [B(ReO4)4]- Anion in the Non-Centrosymmetric Crystal Structure of K[B(ReO4)4]
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Updated: Nov 1, 2026

Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
Published on: July 27, 2022
Stefan Sutorius1, Paula Spengler1, Lkhamsuren Bayarjargal2
1Institut für Anorganische und Materialchemie, Universität zu Köln, Cologne, Germany.
Abstract:
The reaction of KReO4 with B2O3 in molten Re2O7 results in the formation of a colorless crystalline powder of K[B(ReO4)4]. The single-crystal structure determination reveals a non-centrosymmetric structure (space group I ), containing the hitherto unknown [B(ReO4)4]- anion. This anion presents the first example of a monomeric anion with boron as a central atom coordinated by four perrhenate anions forming B─O─Re bonds. The compound has been further characterized by Raman spectroscopy, with additionally DFT calculations to assign the vibration modes. Moreover, the absence of inversion symmetry has been proven by second harmonic generation (SHG) measurements.
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