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).
Titolo: | The Torsional Barriers of 2-Hydroxy- and 2-Fluorobiphenyl: Small but Measurable |
Autore/i: | MAZZANTI, ANDREA; LUNAZZI, LODOVICO; R. Ruzziconi; S. Spizzichino; M. schlosser |
Autore/i Unibo: | |
Anno: | 2010 |
Rivista: | |
Digital Object Identifier (DOI): | http://dx.doi.org/10.1002/chem.200903372 |
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). |
Data prodotto definitivo in UGOV: | 2011-01-30 18:52:58 |
Appare nelle tipologie: | 1.01 Articolo in rivista |
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