NMR as a tool for elucidation of structures and estimation of electron distribution in boranes and their derivatives

The scope of boron-containing cluster compounds, their importance, short history, and the progress in measuring 11B NMR spectra is discussed. Information available from 11B, 1H and 13C NMR spectra is provided, as are the techniques for obtaining them. The IGLO method for the calculation of 11B and 1...

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Bibliographic Details
Published in:Inorganica Chimica Acta 1999-06, Vol.289 (1), p.20-44
Main Author: Heřmánek, S
Format: Article
Language:English
Subjects:
Boranes
Nuclear magnetic resonance
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Summary:The scope of boron-containing cluster compounds, their importance, short history, and the progress in measuring 11B NMR spectra is discussed. Information available from 11B, 1H and 13C NMR spectra is provided, as are the techniques for obtaining them. The IGLO method for the calculation of 11B and 13C NMR shifts is discussed and NMR spectra are evaluated. Methods for the assignment of individual signals are shown. Empirical rules (‘bridging-hydrogen’ and ‘edge’ rules, neighbor, antipodal and trans effects) facilitating the assignment and estimation relationships among NMR characteristics; structure, bonding and chemical behavior; physico-chemical background of individual rules and effects; relationships among 11B chemical shifts, electron density (e.d.) and reactivity of the given boron site (or heteroatom site); significance of the coupling constants 1 J( 11B– 1H) and relationships to the reactivity are all discussed.
ISSN:0020-1693
1873-3255
DOI:10.1016/S0020-1693(99)00055-9