Chad Snyder - Measuring Order in Regioregular Poly(3-hexylthiophene) with Solid- State 13C CPMAS NMR

Version 2

      Publication Details (including relevant citation   information):

      R.C. Nieuwendaal, C.R. Snyder and D.M. DeLongchamp, ACS Macro   Lett. 3, 130-135 (2014).

      Abstract:

      We report on measurements of order in semicrystalline, high molar   mass poly(3-hexylthiophene) (P3HT) by solid-state 13C   cross-polarization magic angle spinning (CPMAS) nuclear magnetic   resonance (NMR) measurements. The relative degree of   crystallinity was estimated for two films with different drying   conditions via X-ray diffraction (XRD) and differential scanning   calorimetry (DSC). Order determined by 13C NMR does   not necessarily correlate with crystallinity, indicating that   local order can occur in noncrystalline regions. Slow main chain   dynamics influence the 13C NMR peak widths at lower   temperatures (<0 °C), with side chain motions influencing the   main chain motions. At higher temperatures (>0 °C), where   narrower thiophene resonances are observed, these main chain   conformation rearrangements occur on fast time scales (≪3 ms).   This room-temperature dynamic disorder suggests that P3HT may be   classified as a conformationally disordered (CONDIS) crystal.

      Address (URL): http://dx.doi.org/10.1021/mz4005343