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.
Penning ionization electron spectra of pyrene, chrysene, and coronene in collision with metastable atoms in the gas phase
Rent:
Rent this article for
USD
10.1063/1.3054188
/content/aip/journal/jcp/130/2/10.1063/1.3054188
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/2/10.1063/1.3054188

Figures

Image of FIG. 1.
FIG. 1.

A schematic showing a heat nozzle.

Image of FIG. 2.
FIG. 2.

(a) UPS and (b) PIES of pyrene in comparison with (c) theoretical spectrum. The positions of bands are based on OVGF calculations and their partial cross sections are proportional to EEDs. The calculated lines have been convoluted by Gaussian bandwidths . Unlabeled bands are bands. The UPS spectrum was adapted from Ref. 39.

Image of FIG. 3.
FIG. 3.

(a) UPS and (b) PIES of chrysene in comparison with (c) theoretical spectrum. The positions of bands are based on OVGF calculations and their partial cross sections are proportional to EEDs. The calculated lines have been convoluted by Gaussian bandwidths ( and 1 eV). Unlabeled bands are bands. The UPS spectrum was adapted from Ref. 40.

Image of FIG. 4.
FIG. 4.

Collision energy dependence of partial ionization cross sections of chrysene by and contributing orbitals.

Image of FIG. 5.
FIG. 5.

(a) UPS and (b) PIES of coronene in comparison with (c) theoretical spectrum. The positions of bands are based on OVGF calculations and their partial cross sections are proportional to EEDs. The calculated lines have been convoluted by Gaussian bandwidths . Unlabeled bands are bands. The UPS spectrum was adapted from Ref. 39.

Image of FIG. 6.
FIG. 6.

Interaction potential energy curves of for (a) pyrene, (b) chrysene, and (c) coronene as a function of distance between and the centre of mass of the molecules in several selected directions of . The definitions of and are also given.

Image of FIG. 7.
FIG. 7.

Contour maps of potential energy surface for (a) pyrene, (b) chrysene, and (c) coronene with . The energy spacing of contour lines is 100 meV for positive values, 5 meV for negative values in the energy range from 0 to 20 meV, and 10 meV for negative values in the energy range from to , respectively.

Tables

Generic image for table
Table I.

Assignments for the PIES of pyrene in comparison with ultraviolet photoelectron and theoretical (SCF and OVGF) spectra.

Generic image for table
Table II.

Assignments for the PIES of chrysene in comparison with ultraviolet photoelectron and theoretical (SCF and OVGF) spectra.

Generic image for table
Table III.

Assignments for the PIES of coronene in comparison with ultraviolet photoelectron and theoretical (SCF and OVGF) spectra.

Generic image for table
Table IV.

Expectation values for the vibrational quantum numbers and IE shifts by the lowest out-of-plane (OP) and in-plane (IP) normal modes.

Loading

Article metrics loading...

/content/aip/journal/jcp/130/2/10.1063/1.3054188
2009-01-13
2014-04-24
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Penning ionization electron spectra of pyrene, chrysene, and coronene in collision with metastable He(2 3S) atoms in the gas phase
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/2/10.1063/1.3054188
10.1063/1.3054188
SEARCH_EXPAND_ITEM