Figure 7.
Calculated (UMPW1K/6-31+G(d,p)) transition-state structures for hydrogen-atom abstraction from isopropanol by aryl radicals g, l and n. The distances between the hydrogen atom being transferred and the α-carbon atom in isopropanol are 1.185 Å, 1.178 Å and 1.170 Å, respectively. The distances between the hydrogen atom being transferred and the radical site are 1.610 Å, 1.632 Å and 1.661 Å, respectively.