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The lower curve shows the energy of the 5′-dTMPH−* TNI as the C5′-O bond is lengthened. Extension of the bond allows the TNI to move from the bound π ground state in which the SOMO is located largely on the thymine base to a dissociative σ(PO4)* state in which the SOMO on the phosphate group. Reprinted with permission from reference [103], copyright 2008 American Chemical Society.
