Berlin 2008 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 6: Electronic+Optical Properties

CPP 6.6: Talk

Monday, February 25, 2008, 15:30–15:45, C 230

Furan-bridged fullerenes - a new class of organic semiconductors? — •Markus Reinmöller, Uwe Ritter, and Wichard J. D. Beenken — Technische Universität Ilmenau, Institut für Physik

We performed quantum-chemical calculations of different oxygen-bridged C60-dimers. The calculations on relaxed structures have shown that a furan-like linkage is prefered. For this structure we found an anti-binding - insulating HOMO, whereas the LUMO may be conducting for a delocalized binding orbital between the two fullerenes. Unexpectedly, this orbital is not related to the oxygen but located on the opposite side - quasi free-hanging outside the furan-bridge. This result engaged us to investigate longer chains of several furan-bridged fullerenes, which may turn out as new organic semiconductor.