TY - JOUR
T1 - Probing the association of frustrated phosphine-borane Lewis pairs in solution by NMR spectroscopy
AU - Rocchigiani, L.
AU - Ciancaleoni, G.
AU - Zuccaccia, C.
AU - Macchioni, Alceo
PY - 2014/1/8
Y1 - 2014/1/8
N2 - 19F,1H HOESY, diffusion, and temperature-dependent 19F and 1H NMR studies allowed us to unequivocally probe the association between the frustrated PR3/B(C6F5)3 (1, R = CMe3; 2, R = 2,4,6-Me3C6H2) 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, ΔG0(298 K) = +0.4 kcal/mol for 2], as derived from diffusion NMR measurements.
AB - 19F,1H HOESY, diffusion, and temperature-dependent 19F and 1H NMR studies allowed us to unequivocally probe the association between the frustrated PR3/B(C6F5)3 (1, R = CMe3; 2, R = 2,4,6-Me3C6H2) 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, ΔG0(298 K) = +0.4 kcal/mol for 2], as derived from diffusion NMR measurements.
UR - https://www.scopus.com/pages/publications/84892180529
U2 - 10.1021/ja4119169
DO - 10.1021/ja4119169
M3 - Article
SN - 0002-7863
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
ER -