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- W2102542018 abstract "The influence of molecular conformation on the oxidation (ionisation) potential and electronic structure associated with several TPD-style hole transport materials has been assessed through a combination of single crystal X-ray diffraction, electrochemical and spectroelectrochemical methods and DFT calculations. The introduction of methyl groups can be used to tune the ionisation potential of these molecular species through a combination of electronic (inductive) and thermodynamic effects, while the conformation of the biphenyl portion of the molecular framework is found to play the greatest role in determining the Marcus-type reorganisation energy associated with the charge transport process on the molecular level." @default.
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- W2102542018 date "2005-01-01" @default.
- W2102542018 modified "2023-10-16" @default.
- W2102542018 title "Towards an understanding of structure–property relationships in hole-transport materials: The influence of molecular conformation on oxidation potential in poly(aryl)amines" @default.
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- W2102542018 doi "https://doi.org/10.1039/b417962e" @default.
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