Fig. 5: Molecular origins of II-III transition. | Nature Communications

Fig. 5: Molecular origins of II-III transition.

From: Unraveling two distinct polymorph transition mechanisms in one n-type single crystal for dynamic electronics

Fig. 5

a Unit cell changes from polymorph II (green) to polymorph III (red). b Frames from (Supplementary Movie 13), showing the diffraction peak evolutions during in situ GIXD. c Enlarged view of the (20) (polymorph II) and (10) (polymorph III) Bragg rods and d associated plot of qz peak position during the I-II transition. e Main vibrational modes for the peaks assigned to the ν(C = C)ECC,Q ν(C = C)ECC,A. f Evolution of in situ Raman spectra with increasing temperature for the core C–C stretching region. g Intensity ratio of aromatic conjugated core to quinoidal core increase during II-III phase transition (Top), and corresponding decrease in the trans to gauche intensity ratio (Bottom). Error bars reflect the standard deviation of 3 measurements in different locations in the crystal.

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