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Diffuse X-ray data for mixed stack organic charge-transfer crystalsapproaching the neutral-ionic phase transition can be quantitatively explainedas due to the softening of the optical phonon branch. The interpretation isfully consistent with vibrational spectra, and underlines the importance ofelectron-phonon coupling in low-dimensional systems with delocalized electrons.

Anomalous dispersion of optical phonons at the neutral-ionic transition: Evidence from diffuse X-ray scattering