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.
Gas-phase structures of neutral silicon clusters
Rent:
Rent this article for
USD
10.1063/1.3682323
/content/aip/journal/jcp/136/6/10.1063/1.3682323
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/6/10.1063/1.3682323
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Mass spectra of neutral Si clusters obtained under different ionization conditions. The upper panel shows a spectrum measured with the F2 ionization laser only, while the lower panels show spectra for a distribution irradiated with different frequencies of FELIX.

Image of FIG. 2.
FIG. 2.

IR-UV2CI spectra of Si6, Si7, and Si10 clusters compared to infrared spectra of the lowest energy structures from DFT (and MP2 calculation for the Si6). In the experimental spectra reported here, the dots correspond to original data points folded with a 5-point binomial weighted average as a solid red line. The y-axis for the experimental spectrum has arbitrary units.

Image of FIG. 3.
FIG. 3.

IR-MPD spectrum of xenon-tagged Si8 cluster compared to infrared spectra of low lying isomers predicted by DFT. Relative energies are given in kJ/mol.

Image of FIG. 4.
FIG. 4.

HOMO of the neutral Si8 and a detailed comparison of the structures of cationic and neutral Si8. In the neutral cluster, the HOMO has bonding character along the bond marked in red. Upon ionization, this level gets partially depopulated and the structure becomes unstable. The atoms forming the pentagonal ring are colored in dark grey.

Image of FIG. 5.
FIG. 5.

IR-MPD and IR-UV2CI spectrum of Si9. Two low lying isomers and their predicted IR spectra are shown for comparison.

Image of FIG. 6.
FIG. 6.

IR-MPD spectrum of xenon-tagged Si15 clusters compared with linear absorption spectra for several predicted minimum energy structures.

Image of FIG. 7.
FIG. 7.

Comparison between the structures determined by gas-phase IR spectroscopy for cationic and neutral silicon clusters with n = 6–10 and n = 15. Approximate symmetries are determined from the atomic geometries calculated without symmetry constraints.

Loading

Article metrics loading...

/content/aip/journal/jcp/136/6/10.1063/1.3682323
2012-02-09
2014-04-19
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Gas-phase structures of neutral silicon clusters
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/6/10.1063/1.3682323
10.1063/1.3682323
SEARCH_EXPAND_ITEM