Figure 5.
PDF molecular models of TMPC precursor. A) Refined 9-member straight-chain polymer model. B) Refined 8-member closed-chain model. C) Refined 8-member ring model. Model bond length values are shown. D, E, F) PDF fits corresponding to A, B, C, respectively. In the PDF fits the blue circles are the 80 K data, the solid red line is the calculated PDF of the best-fitting model over the range of r from 1.8 – 6.25 Å, and the dashed red line is the PDF from the refined model extended out to 9 Å. The green line is the difference between the data and fit over the fit range and is offset for clarity.