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Low-temperature electronic structures and intramolecular interaction of oligofluorenes studied by synchrotron photoemission spectroscopy
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Figures

Image of FIG. 1.

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FIG. 1.

The chemical structures of TDAF.

Image of FIG. 2.

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FIG. 2.

The valence band spectra of pristine TDAF for different evaporation/measurement conditions, (a) RT/RT, (b) RT/LT, (c) LT/LT, and (d) LT/RT. Only the spectrum (c) shows different features at the top of HOMO.

Image of FIG. 3.

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FIG. 3.

The calculated DOS and simulated spectra for various TDAF conformations with different interunit angle. The vertical bars at the bottom of each graph represent the calculated energies of MOs. The results show that the electronic structures are affected by the interunit angle within the TDAF molecule.

Image of FIG. 4.

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FIG. 4.

The comparison of experimental and theoretical spectra of TDAF. The optimized structure is corresponding to the RT conditions, and the almost perpendicular one refers to the film deposited on a LT substrate.

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/content/aip/journal/apl/95/8/10.1063/1.3213548
2009-08-27
2014-04-24

Abstract

Influences of temperature and intramolecular interaction on the electronic structures of oligofluorenes were systematically studied via synchrotron radiationphotoemissionspectroscopy and quantum chemical calculations. Our results show that the oligofluorene thin films deposited at substrates of different temperatures will alter the electronic structures, which results from the change of interunit angles in 2,7-bis[9,9-di(4-methylphenyl)-fluoren-2-yl]-9,9-di(4-methylphenyl)fluorine molecules. The fluorene-units at low temperature are almost perpendicular to each other and the interunit angle of stable state is 41° at room temperature.

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Scitation: Low-temperature electronic structures and intramolecular interaction of oligofluorenes studied by synchrotron photoemission spectroscopy
http://aip.metastore.ingenta.com/content/aip/journal/apl/95/8/10.1063/1.3213548
10.1063/1.3213548
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