Charge Transfer from O->Ti

I realized this morning that the previous post indicates charge transfer as opposed to hybridization because the changes in peak 3 and peak 2 are positively correlated. Previous literature (Phys Rev B v 56 p 1809) and calculations by FEFF indicate that peak 3 is due to a transition from Ti to the O 2p states (they also suggest that it could be a transition to a Ti d-state). If we attribute changes in peak 2 to changes in the Ti 3+ concentration, then the peak2-3 correlation says that the occupancy of the O 2p states is decreasing while the concentration of Ti-3+ ions is increasing.

If this is the case, then I predict that we should see some small changes in the Ti-O PDF that correlate with the changing state occupancy as temperature increases: either a small change in bond length, or a change in non-debye and non-static PDF width.