The relative stabilities of three conformational isomers of 2,2′-binaphthalene-1,1′-diol diisobutyrate and the energy barriers to rotation about the pivotal aryl–aryl bond and the two aryl–oxygen bonds were investigated by variable-temperature NMR spectroscopy in conjunction with DFT computations. The experimental and calculated data were found to be in very good agreement and provide new insights into the dynamic stereochemistry of BINOL-derived tropos ligands
Computational and DNMR Investigation of the Isomerism and Stereodynamics of the 2,2′-Binaphthalene-1,1′-diol Scaffold / Andrea Mazzanti;Michel Chiarucci;Keith W. Bentley;Christian Wolf. - In: JOURNAL OF ORGANIC CHEMISTRY. - ISSN 0022-3263. - STAMPA. - 79:8(2014), pp. jo5005229.3725-jo5005229.3730. [10.1021/jo5005229]
Computational and DNMR Investigation of the Isomerism and Stereodynamics of the 2,2′-Binaphthalene-1,1′-diol Scaffold
MAZZANTI, ANDREA;CHIARUCCI, MICHEL;
2014
Abstract
The relative stabilities of three conformational isomers of 2,2′-binaphthalene-1,1′-diol diisobutyrate and the energy barriers to rotation about the pivotal aryl–aryl bond and the two aryl–oxygen bonds were investigated by variable-temperature NMR spectroscopy in conjunction with DFT computations. The experimental and calculated data were found to be in very good agreement and provide new insights into the dynamic stereochemistry of BINOL-derived tropos ligandsI documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
