Use of X-ray diffraction, molecular simulations, and spectroscopy to determine the molecular packing in a polymer-fullerene bimolecular crystal

Use of X-ray diffraction, molecular simulations, and spectroscopy to determine the molecular packing in a polymer-fullerene bimolecular crystal

Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Bibliographische Detailangaben
Veröffentlicht in:Advanced materials (Deerfield Beach, Fla.). - 1998. - 24(2012), 45 vom: 27. Nov., Seite 6071-9
1. Verfasser: Miller, Nichole Cates (VerfasserIn)
Weitere Verfasser: Cho, Eunkyung, Junk, Matthias J N, Gysel, Roman, Risko, Chad, Kim, Dongwook, Sweetnam, Sean, Miller, Chad E, Richter, Lee J, Kline, R Joseph, Heeney, Martin, McCulloch, Iain, Amassian, Aram, Acevedo-Feliz, Daniel, Knox, Christopher, Hansen, Michael Ryan, Dudenko, Dmytro, Chmelka, Bradley F, Toney, Michael F, Brédas, Jean-Luc, McGehee, Michael D
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2012
Zugriff auf das übergeordnete Werk:Advanced materials (Deerfield Beach, Fla.)
Schlagworte:Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S. Fullerenes
Beschreibung
Zusammenfassung:Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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
Beschreibung:Date Completed 01.05.2013
Date Revised 30.09.2020
published: Print-Electronic
Citation Status MEDLINE
ISSN:1521-4095
DOI:10.1002/adma.201202293