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.
Effects of solvation on one- and two-photon spectra of coumarin derivatives: A time-dependent density functional theory study
Rent:
Rent this article for
USD
10.1063/1.2464110
/content/aip/journal/jcp/126/9/10.1063/1.2464110
http://aip.metastore.ingenta.com/content/aip/journal/jcp/126/9/10.1063/1.2464110

Figures

Image of FIG. 1.
FIG. 1.

Structure of coumarin 120, 1, 480 (102).

Image of FIG. 2.
FIG. 2.

Structure of coumarin 152, 152A, 522, 153, 307, and 151.

Tables

Generic image for table
Table I.

excitation energy (, eV), oscillator strength , and transition dipole moment for coumarin derivatives compared with experiment. The values in parentheses and brackets are computed with the and the aug-cc-pVTZ basis sets, respectively.

Generic image for table
Table II.

TPA cross section (in GM, using ) and excited state maximum (in parentheses) for C120. Experimental TPA cross section of (not a maximum value) measured at in ethanol, (Ref. 16); experimental TPA cross section of (not a maximum value) measured at in water (Ref. 18).

Generic image for table
Table III.

Ground and excited state dipole moments (in D) and TPA cross sections for C120 using the two-state approximation.

Generic image for table
Table IV.

Computed maximum TPA cross section (in GM, using ) and corresponding transition energy (in parentheses) compared with the experiment. Single “” denotes “not a maximum value.”

Loading

Article metrics loading...

/content/aip/journal/jcp/126/9/10.1063/1.2464110
2007-03-05
2014-04-19
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Effects of solvation on one- and two-photon spectra of coumarin derivatives: A time-dependent density functional theory study
http://aip.metastore.ingenta.com/content/aip/journal/jcp/126/9/10.1063/1.2464110
10.1063/1.2464110
SEARCH_EXPAND_ITEM