1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
The correction vector method for three-photon absorption: The effects of conjugation in extended rylenebis(dicarboximide)s
Rent:
Rent this article for
USD
10.1063/1.2355676
/content/aip/journal/jcp/125/16/10.1063/1.2355676
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/16/10.1063/1.2355676

Figures

Image of FIG. 1.
FIG. 1.

Chemical structures of the extended rylenebis(dicarboximide)s. The reference frame is also shown.

Image of FIG. 2.
FIG. 2.

Evolution of the 1PA, 2PA, and 3PA cross sections obtained by the tensor approach at the first peak of Naph2 as a function of the number of the excited states involved in the summation. The square, circle, and triangle dot lines correspond to 1PA, 2PA, and 3PA, respectively.

Image of FIG. 3.
FIG. 3.

One-photon absorption spectrum: (a) MRDCI-polarized linear absorption spectrum of Naph2. The open square and open circle dot lines correspond to polarization along the and axes, respectively. (b) The -polarized linear absorption spectrum of the calculated molecules: Naph2 (square), Naph3 (circle), Naph4 (upper triangle), Naph5 (lower triangle), Naph6 (diamond), and Naph7 (left triangle).

Image of FIG. 4.
FIG. 4.

The calculated two-photon absorption spectra of Naph2 (square), Naph3 (circle), Naph4 (upper triangle), Naph5 (lower triangle), Naph6 (diamond), and Naph7 (left triangle). .

Image of FIG. 5.
FIG. 5.

The calculated three-photon absorption spectra of Naph2 (square), Naph3 (circle), Naph4 (upper triangle), Naph5 (lower triangle), Naph6 (diamond), and Naph7 (left triangle). The spectra of Naph2 and Naph3 are enlarged in the inset for the sake of clarity of presentation.

Image of FIG. 6.
FIG. 6.

The log-log plot of cross section vs the molecule length [, , vs , where value is taken at the first peak]. The square, circle, and triangle dot lines correspond to 1PA, 2PA, and 3PA, respectively.

Tables

Generic image for table
Table I.

Optimized ground state geometries of the calculated molecules.

Generic image for table
Table II.

The molecular conjugation length , the excitation energies ( and ) of the first two singlet excited states (S1 and S2), and the component of the transition dipole moments ( and ) between the excited states and the ground state.

Generic image for table
Table III.

The 1PA, 2PA, and 3PA photon energies at the first peak and the corresponding cross sections (, , and ).

Loading

Article metrics loading...

/content/aip/journal/jcp/125/16/10.1063/1.2355676
2006-10-24
2014-04-18
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: The correction vector method for three-photon absorption: The effects of π conjugation in extended rylenebis(dicarboximide)s
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/16/10.1063/1.2355676
10.1063/1.2355676
SEARCH_EXPAND_ITEM