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Two- and three-photon absorption of organic ionic pyrylium based materials
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10.1063/1.3123742
/content/aip/journal/jcp/130/17/10.1063/1.3123742
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/17/10.1063/1.3123742

Figures

Image of FIG. 1.
FIG. 1.

Chemical structure of pyrylium-based molecules studied in this work.

Image of FIG. 2.
FIG. 2.

Calculated electronic spectra of C1–C4 excluding (green dots) and including counteranion (blue dots). Solid lines correspond to experimental spectra.

Image of FIG. 3.
FIG. 3.

Calculated electronic spectra of C1–C4 excluding (green dots) and including counteranion (blue dots) in acetone as solvent. Solid lines correspond to experimental spectra.

Image of FIG. 4.
FIG. 4.

Electronic spectra of C1–C4 including counteranion at 3.8 Å. Dots corresponds to calculated one while solid lines corresponds to experimental one.

Image of FIG. 5.
FIG. 5.

Electronic spectra of C1–C4 including counteranion at 3.8 Å in acetone as solvent. Dots correspond to calculated one while solid lines corresponds to experimental one.

Image of FIG. 6.
FIG. 6.

Molecular orbitals of molecule C1. (a) HOMO, (b) LUMO, and (c) HOMO-1.

Image of FIG. 7.
FIG. 7.

Molecular orbitals of molecule C2. (a) HOMO, (b) LUMO, (c) HOMO-1, and (d) .

Tables

Generic image for table
Table I.

Excitation energies, in eV, in GM units and in the units of . The 2PA cross sections have been calculated excluding counteranion in acetone as solvent. is the quantum yield. The experimental excitation energy is not given in the table as we do not know which excited state is involved.

Generic image for table
Table II.

Excitation energies, in eV, in GM units and in the units of . The 2PA cross sections have been calculated excluding counteranion in gas phase.

Generic image for table
Table III.

Properties of the two lowest singlet electronic transitions of C1 and C2 obtained by .

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/content/aip/journal/jcp/130/17/10.1063/1.3123742
2009-05-07
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Two- and three-photon absorption of organic ionic pyrylium based materials
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/17/10.1063/1.3123742
10.1063/1.3123742
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