Organoboranes and tetraorganoborates studied by 11B and 13C NMR spectroscopy and DFT calculations
Author:
- 9 May 2015
- journal article
- Published by Walter de Gruyter GmbH in Zeitschrift für Naturforschung B
- Vol. 70 (6) , 421-424
Abstract
Care should be taken on recording the sometimes elusive 13C NMR signals for boron-bonded carbon atoms, since it is easy to extract information about coupling constants 1 J(13C,11B) by measuring the respective line widths of 13C(B-C) and 11B NMR signals. This information can be confirmed by quantum-chemical calculations [B3LYP (6-311+G(d,p) level of theory] of n J(13C,11B) in organoboranes and tetraorganoborates. For the latter, the signs for n = 2, 3, 4 were experimentally determined.Keywords
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