Skip to main content
. Author manuscript; available in PMC: 2009 Nov 13.
Published in final edited form as: J Phys Chem B. 2008 Oct 9;112(45):14108–14123. doi: 10.1021/jp805876e

Figure 4.

Figure 4

Free energy surfaces for the PCET reaction in a rhenium-tyrosine complex.88 In the center frame are slices of the free energy surfaces along a collective solvent coordinate. In the left frame is the reactant (I) proton potential energy curve and the corresponding proton vibrational wavefunctions along the proton coordinate evaluated at the minimum of the ground state reactant free energy surface. In the right frame is the product (II) proton potential energy curve and the corresponding proton vibrational wavefunctions along the proton coordinate evaluated at the minimum of the ground state product free energy surface. Figure reproduced with permission from Ref. 88.