2D COSY 11B NMR spectroscopy in the interpretation of the structures of iso and trans isomers of the macropolyhedral boron cluster [B20H18]2

Two isomers of macropolyhedral boron cluster [B20H18]2- have been synthesized as salts {(Ph3P)2N}2[trans- B20H18] and {(Ph3P)2N}2[iso-B20H18]. The structures of both compounds have been studied by 1H and 11B NMR spectroscopy, IR spectroscopy, and single-crystal X-ray diffraction. The structures of both isomers have been analyzed based on the results of 2D COSY 11B NMR taking into account the obtained X-ray diffraction data.

Automated summary

Two isomers of macropolyhedral boron cluster [B20H18]2- have been synthesized as salts {(Ph3P)2N}2[trans- B20H18] and {(Ph3P)2N}2[iso-B20H18]. The structures of both compounds have been studied by various techniques including 1H and 11B NMR spectroscopy, IR spectroscopy, and single-crystal X-ray diffraction. The analysis of the structures of both isomers was based on the results of 2D COSY 11B NMR and X-ray diffraction data.