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. Author manuscript; available in PMC: 2011 Dec 8.
Published in final edited form as: Chem Rev. 2010 May 5;110(12):7002–7023. doi: 10.1021/cr100023g

Figure 31.

Figure 31

Lower curve: Potential energy surface (PES) of the 5′-dTMPH transient negative ion (TNI); calculated in the neutral optimized geometry of 5′-dTMPH with C5′-O5′ bond elongation. SOMO is shown at selected points. Upper curves: calculated vertical excitation energies of the radical anion at each point along the PES, MOs involved in excitations are also shown. Energies and distances are given in eV and Å, respectively. The lowest ππ*state (triangles) and lowest πσ* states (square) are shown. (Figure reproduced with permission from ref. 272. Copyright 2008 American Chemical Society.)