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Conformational disorder of conjugated polymers
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10.1063/1.2358682
/content/aip/journal/jcp/125/15/10.1063/1.2358682
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/15/10.1063/1.2358682

Figures

Image of FIG. 1.
FIG. 1.

The figure shows (a) the chemical structure of PDOPT and sketches (b) the indexing and assignment of beads , bond vectors , and bending angle in the molecular model. The chromophore vectors and subdipoles used in the line-dipole EET simulations are shown as dotted arrows.

Image of FIG. 2.
FIG. 2.

The torsional angle is illustrated and the torsional potential energy curve calculated by DFT is shown.

Image of FIG. 3.
FIG. 3.

The measured anisotropy is shown for excitations at (open squares) and (open dots) together with three simulations for , , , and with varying bond spring constant (solid line), (dashed line), and (dotted line).

Image of FIG. 4.
FIG. 4.

Panels (a) and (b) show the measured polarization anisotropy for excitations at 2.47 and (open symbols), respectively. The corresponding simulated traces are for , , , and with varying bending potential (solid line), (dashed line), and (dotted line).

Image of FIG. 5.
FIG. 5.

The upper and lower panels show the measured polarization anisotropy for excitations at 2.47 and (open symbols), respectively. The corresponding simulated traces are for , , and with torsional potentials as shown in the insets multiplied by (solid line), (dashed line), (dotted line), and (dash-dotted line).

Image of FIG. 6.
FIG. 6.

Panels (a) and (b) show the measured polarization anisotropy for excitations at 2.47 and (open symbols), respectively. The corresponding simulated traces are for , , and with varying chromophore lengths (solid line), (dotted line), and (dashed line).

Tables

Generic image for table
Table I.

The table summarizes the end-to-end distance and the radius of gyration of the simulated polymer chains.

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/content/aip/journal/jcp/125/15/10.1063/1.2358682
2006-10-18
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Conformational disorder of conjugated polymers
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/15/10.1063/1.2358682
10.1063/1.2358682
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