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Issue 23, 2005
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Towards an understanding of structure–property relationships in hole-transport materials: The influence of molecular conformation on oxidation potential in poly(aryl)amines

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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.

Graphical abstract: Towards an understanding of structure–property relationships in hole-transport materials: The influence of molecular conformation on oxidation potential in poly(aryl)amines

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Publication details

The article was received on 29 Nov 2004, accepted on 01 Mar 2005 and first published on 04 Apr 2005


Article type: Paper
DOI: 10.1039/B417962E
J. Mater. Chem., 2005,15, 2304-2315

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    Towards an understanding of structure–property relationships in hole-transport materials: The influence of molecular conformation on oxidation potential in poly(aryl)amines

    P. J. Low, M. A. J. Paterson, D. S. Yufit, J. A. K. Howard, J. C. Cherryman, D. R. Tackley, R. Brook and B. Brown, J. Mater. Chem., 2005, 15, 2304
    DOI: 10.1039/B417962E

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