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IRTG / Soft Matter Science
Freiburger Materialforschungszentrum
Stefan-Meier-Str. 21
79104 Freiburg, Germany


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You are here: Home Events Dr. Michael Hansen "Probing Molecular Packing and Dynamics in Functional Organic Materials"

Dr. Michael Hansen "Probing Molecular Packing and Dynamics in Functional Organic Materials"

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Interdisciplinary Nanoscience Center (iNANO) and Department of Chemistry, Aarhus University, Gustav Wieds Vej 14, DK-8000 Aarhus C, Denmark

  • Seminar
When Jul 23, 2014
from 02:15 PM to 03:00 PM
Where Seminarraum A, FMF, Stefan-Meier-Str. 21, Freiburg
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Functional organic materials with extended pi-conjugation, such as low band gap polymers and disc-shaped aromatic molecules, have the potential to serve as efficient organic semiconductors in various electronic devices. A common feature shared by most of these materials is that their specific function is established via solution processing. This process utilizes the spontaneous self assembly of molecules driven by entropy and it results in materials with regions of high and low order, often referred to as semi crystallinity. The absence of long-range ordering, however, prevents the direct access to details about the organization at the molecular level from a conventional approach.

In my talk I will outline a general strategy for determining the molecular packing in functional organic materials that combines X-ray diffraction and solid-state NMR experiments with quantum-chemical calculations of Nucleus Independent Chemical Shift (NICS) maps.[1,2] This combination provides a useful platform to assess specific packing motifs and in some cases even allows setting up a crystal structure, provided that sufficient constraints can be derived from experiments. The potential of the proposed strategy will be exemplified by recent work on poly-3-hexyl-thiophene (P3HT),[3] donor-acceptor-type polymers,[4,5] and shapepersistent macrocycles, forming empty helical nano channels.[6] Finally, I will illustrate how site-specific information about molecular dynamics determined from solid-state NMR experiments can be used to elucidate structure and complex motions in discotic liquid crystals.[7,8]

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