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Updated: May 18, 2026

Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene
Published on: August 22, 2017
Use of X-ray diffraction, molecular simulations, and spectroscopy to determine the molecular packing in a
Nichole Cates Miller1, Eunkyung Cho, Matthias J N Junk
1Department of Materials Science and Engineering, Stanford University, Stanford, CA 94305, USA.
Abstract:
The molecular packing in a polymer: fullerene bimolecular crystal is determined using X-ray diffraction (XRD), molecular mechanics (MM) and molecular dynamics (MD) simulations, 2D solid-state NMR spectroscopy, and IR absorption spectroscopy. The conformation of the electron-donating polymer is significantly disrupted by the incorporation of the electron-accepting fullerene molecules, which introduce twists and bends along the polymer backbone and 1D electron-conducting fullerene channels.
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