ja054446x_si_001.pdf (594.98 kB)
Download file

Enhancing 2-Iodoxybenzoic Acid Reactivity by Exploiting a Hypervalent Twist

Download (594.98 kB)
journal contribution
posted on 19.10.2005, 00:00 by Julius T. Su, William A. Goddard
A rearrangement of hypervalent bonds, or twisting, proves to be the rate-determining step in the 2-iodoxybenzoic acid (IBX) oxidation of alcohols. From this insight, derived from density functional theory calculations, we explain why IBX oxidizes large alcohols faster than small ones and propose a modification to the reagent predicted to make it more active.

History