Salts with the Triborate Anion [B3O3F2(OH)2]–: A Combined Experimental and Theoretical Study

✍ Scribed by Maik Finze; Guido J. Reiss

• Publisher: John Wiley and Sons
• Year: 2008
• Tongue: English
• Weight: 239 KB
• Volume: 2008
• Category: Article
• ISSN: 1434-1948
• DOI: 10.1002/ejic.200800068

✦ Synopsis

Abstract

Reactions of [3‐NC‐B~11~F~10~]^2–^ with aqueous bases resulted in a cluster degradation. From the reaction mixtures, salts of the [B~3~O~3~F~2~(OH)~2~]^–^ anion (1) with [Ph~4~P]^+^ or [Ph~3~MeP]^+^ as countercations were isolated. Both salts were investitgated by single‐crystal X‐ray diffraction. In the solid state the triborate anions form infinite hydrogen‐bonded chains. In the [Ph~4~P]^+^ salt the anions and the chains are coplanar, whereas in the [Ph~3~MeP]^+^ salt the planes of the anions are twisted against each other. The bonding parameters of the anion are compared to values of the related [B~3~O~3~(OH)~4~]^–^ anion (2) and to values derived from density functional calculations. In addition, the triborate anion 1 was characterized by ^11^B and ^19^F NMR spectroscopy as well as by MALDI mass spectrometry. The experimental chemical shifts are compared to calculated values (DFT‐GIAO).(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)