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Tetraiododiborane(4) (B2 I4 ) is a Polymer Based on sp3 Boron in the Solid State.


ABSTRACT: Herein we present the first solid-state structures of tetraiododiborane(4) (B2 I4 ), which was long believed to exist in all phases as discrete molecules with planar, tricoordinate boron atoms, like the lighter tetrahalodiboranes(4) B2 F4 , B2 Cl4 , and B2 Br4 . Single-crystal X-ray diffraction, solid-state NMR, and IR measurements indicate that B2 I4 in fact exists as two different polymeric forms in the solid state, both of which feature boron atoms in tetrahedral environments. DFT calculations are used to simulate the IR spectra of the solution and solid-state structures, and these are compared with the experimental spectra.

SUBMITTER: Muessig JH 

PROVIDER: S-EPMC7154622 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature

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Tetraiododiborane(4) (B<sub>2</sub> I<sub>4</sub> ) is a Polymer Based on sp<sup>3</sup> Boron in the Solid State.

Muessig Jonas H JH   Lisinetskaya Polina P   Dewhurst Rian D RD   Bertermann Rüdiger R   Thaler Melanie M   Mitrić Roland R   Braunschweig Holger H  

Angewandte Chemie (International ed. in English) 20200130 14


Herein we present the first solid-state structures of tetraiododiborane(4) (B<sub>2</sub> I<sub>4</sub> ), which was long believed to exist in all phases as discrete molecules with planar, tricoordinate boron atoms, like the lighter tetrahalodiboranes(4) B<sub>2</sub> F<sub>4</sub> , B<sub>2</sub> Cl<sub>4</sub> , and B<sub>2</sub> Br<sub>4</sub> . Single-crystal X-ray diffraction, solid-state NMR, and IR measurements indicate that B<sub>2</sub> I<sub>4</sub> in fact exists as two different poly  ...[more]

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