19F,1H HOESY, diffusion, and temperature-dependent 19F and 1H NMR studies allowed us to unequivocally probe the association between the frustrated PR3/B(C6F 5)3 (1, R = CMe3; 2, R = 2,4,6-Me 3C6H2) Lewis pairs in aromatic solvents. No preferential orientation is favored, as deduced by combining 19F,1H HOESY and DFT results, suggesting association via weak dispersion rather than residual acid/base interactions. The association process is slightly endoergonic [K = 0.5 M-1, ΔG 0(298 K) = +0.4 kcal/mol for 2], as derived from diffusion NMR measurements. © 2013 American Chemical Society.
Probing the association of frustrated phosphine-borane Lewis pairs in solution by NMR spectroscopy
CIANCALEONI, GIANLUCA;
2014-01-01
Abstract
19F,1H HOESY, diffusion, and temperature-dependent 19F and 1H NMR studies allowed us to unequivocally probe the association between the frustrated PR3/B(C6F 5)3 (1, R = CMe3; 2, R = 2,4,6-Me 3C6H2) Lewis pairs in aromatic solvents. No preferential orientation is favored, as deduced by combining 19F,1H HOESY and DFT results, suggesting association via weak dispersion rather than residual acid/base interactions. The association process is slightly endoergonic [K = 0.5 M-1, ΔG 0(298 K) = +0.4 kcal/mol for 2], as derived from diffusion NMR measurements. © 2013 American Chemical Society.File in questo prodotto:
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