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).
A. Mazzanti; L. Lunazzi; R. Ruzziconi; S. Spizzichino; M. schlosser
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11585/96658
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