By making use of a novel diastereotopicity probe, namely C(CF3)2OH, it has been possible to measure by very low temperature 19F NMR spectroscopy the elusive aryl–aryl rotation barriers of biphenyls bearing an OH or F group in one ortho position. The experimental values (5.4 and 4.4 kcalmol-1, respectively) are matched by those from ab initio calculations (5.3 and 4.3 kcalmol-1, respectively).
The Torsional Barriers of 2-Hydroxy- and 2-Fluorobiphenyl: Small but Measurable
MAZZANTI, ANDREA;LUNAZZI, LODOVICO;
2010
Abstract
By making use of a novel diastereotopicity probe, namely C(CF3)2OH, it has been possible to measure by very low temperature 19F NMR spectroscopy the elusive aryl–aryl rotation barriers of biphenyls bearing an OH or F group in one ortho position. The experimental values (5.4 and 4.4 kcalmol-1, respectively) are matched by those from ab initio calculations (5.3 and 4.3 kcalmol-1, respectively).File in questo prodotto:
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