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Conformational relaxation of -conjugated polymer radical anion on picosecond scale
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10.1063/1.3139447
/content/aip/journal/jcp/130/20/10.1063/1.3139447
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/20/10.1063/1.3139447
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Figures

Image of FIG. 1.
FIG. 1.

Transient PA spectra at delayed time observed in picosecond pulse radiolysis of PBPS in THF, together with PA spectrum of neat THF at the pulse end. The solid lines are fitting curves based on Eq. (6). The inset shows the chemical structure of PBPS.

Image of FIG. 2.
FIG. 2.

(a) Extracted peaks of PA spectra as a function of time. The data were fitted by Eq. (8) (solid line). (b) Transient PA spectrum observed in nanosecond pulse radiolysis of PBPS in THF, where the PA peak is attributed to completely equilibrated PBPS radical anion. (c) Dots and solid line are extracted coefficient and a convoluted kinetics of , respectively [see text and Eq. (10)]. (d) Difference of and convoluted . The solid line is an exponential function using same time rate with the observed peak shift.

Image of FIG. 3.
FIG. 3.

Optimized geometries of neutral (upper) and radical anion (lower) states of oligosilane using DFT UB3LYP . The relaxation time was calculated by MD simulation based on vibration frequencies.

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/content/aip/journal/jcp/130/20/10.1063/1.3139447
2009-05-29
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Conformational relaxation of σ-conjugated polymer radical anion on picosecond scale
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/20/10.1063/1.3139447
10.1063/1.3139447
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