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. Author manuscript; available in PMC: 2009 Dec 31.
Published in final edited form as: J Am Chem Soc. 2008 Dec 31;130(52):17697–17709. doi: 10.1021/ja801707p

Figure 7.

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.