Tri(phosphorano)borazinium-Ionen |
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| Authors: | Michael Mö hlen,Bernhard Neumü ller,Klaus Harms,Harald Krautscheid,Dieter Fenske,Michael Diedenhofen,Gernot Frenking,Kurt Dehnicke |
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| Abstract: | Tri(phosphorano)borazinium Ions The synthesis, structures, and quantum-chemical calculations of tri(phosphorano)borazinium ions are reported for the first time. [HBNPEt3]33+(I–)3 ( 6 ) and [H4B3(NPEt3)3]2+(I–)2 ( 7 ) originate from iodine acting on the borane adduct at trimethylsilyltriethylphosphoraneimine. With acetonitrile 6 reacts under formation of [{HBNPEt3}3CH3CN]3+(I–)3 · CH3CN ( 8 ). While 6 forms an almost planar B3N3 six-membered ring with BN distances of 143 pm, which are equivalent to those in borazine molecules, in 7 and 8 one boron atom at a time is sp3 hybridized due to an additional bonding with a hydride ligand and to the adduct formation with acetonitrile, respectively. The quantum-chemical calculations suggest relatively polar B–N bonds. |
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| Keywords: | Boron Phosphorus Borazinium Ions Crystal Structures Ab initio Calculations |
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