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Spying on the boron-boron triple bond using spin-spin coupling measured from 11 B solid-state NMR spectroscopy.
- Source :
-
Chemical science [Chem Sci] 2015 Jun 01; Vol. 6 (6), pp. 3378-3382. Date of Electronic Publication: 2015 Apr 01. - Publication Year :
- 2015
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Abstract
- There is currently tremendous interest in the previously documented example of a stable species exhibiting a boron-boron triple bond ( Science , 2012, 336 , 1420). Notably, it has recently been stated using arguments based on force constants that this diboryne may not, in reality, feature a boron-boron triple bond. Here, we use advanced solid-state NMR and computational methodology in order to directly probe the orbitals involved in multiple boron-boron bonds experimentally via analysis of <superscript>11</superscript> B- <superscript>11</superscript> B spin-spin ( J ) coupling constants. Computationally, the mechanism responsible for the boron-boron spin-spin coupling in these species is found to be analogous to that for the case of multiply-bonded carbon atoms. The trend in reduced J coupling constants for diborenes and a diboryne, measured experimentally, is in agreement with that known for alkenes and alkynes. This experimental probe of the electronic structure of the boron-boron multiple bond provides strong evidence supporting the originally proposed nature of the bonds in the diboryne and diborenes, and demonstrates that the orbitals involved in boron-boron bonding are equivalent to those well known to construct the multiple bonds between other second-row elements such as carbon and nitrogen.
Details
- Language :
- English
- ISSN :
- 2041-6520
- Volume :
- 6
- Issue :
- 6
- Database :
- MEDLINE
- Journal :
- Chemical science
- Publication Type :
- Academic Journal
- Accession number :
- 29142694
- Full Text :
- https://doi.org/10.1039/c5sc00644a