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Use of X-ray diffraction, molecular simulations, and spectroscopy to determine the molecular packing in a polymer-fullerene bimolecular crystal.
- Source :
-
Advanced materials (Deerfield Beach, Fla.) [Adv Mater] 2012 Nov 27; Vol. 24 (45), pp. 6071-9. Date of Electronic Publication: 2012 Sep 05. - Publication Year :
- 2012
-
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.<br /> (Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)
Details
- Language :
- English
- ISSN :
- 1521-4095
- Volume :
- 24
- Issue :
- 45
- Database :
- MEDLINE
- Journal :
- Advanced materials (Deerfield Beach, Fla.)
- Publication Type :
- Academic Journal
- Accession number :
- 22949357
- Full Text :
- https://doi.org/10.1002/adma.201202293