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Structures of and (, 3, and 4) studied by anion photoelectron spectroscopy and density functional theory calculations
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10.1063/1.1853379
/content/aip/journal/jcp/122/9/10.1063/1.1853379
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/9/10.1063/1.1853379

Figures

Image of FIG. 1.
FIG. 1.

Anion PE spectra of obtained using 4.66 (lower trace) and 3.49 eV (center trace) along with the spectral simulation based on calculated properties.

Image of FIG. 2.
FIG. 2.

PE spectra of (a) obtained using 3.49 and 4.66 eV (dotted trace), (b) obtained using 3.49 (solid trace) and 4.66 eV (dotted trace), and (c) obtained using 3.49 (solid trace) and 4.66 eV (dotted trace). The inset in (c) shows the simulation of the spectrum predicted from calculated structures.

Image of FIG. 3.
FIG. 3.

Relative stabilities and apparent adiabatic electron affinities for the (left side) and (right side) structural isomers determined from DFT calculations.

Image of FIG. 4.
FIG. 4.

Relative stabilities and apparent adiabatic electron affinities for the (left side) and (right side) structural isomers determined from DFT calculations.

Image of FIG. 5.
FIG. 5.

Relative stabilities and apparent adiabatic electron affinities for the (left side) and (right side) structural isomers determined from DFT calculations.

Image of FIG. 6.
FIG. 6.

(a) Raw data showing PE spectra of obtained with (solid trace) and without (dotted trace) the hole-burning laser and (b) the difference spectra.

Tables

Generic image for table
Table I.

Symmetries, Mo–Mo distances, and relative energies of structural isomers calculated for the structural isomers shown in Fig. 3.

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Table II.

Symmetries, Mo–Mo distances, and relative energies of structural isomers calculated for the structural isomers shown in Fig. 4.

Generic image for table
Table III.

Symmetries, Mo–Mo distances, and relative energies of structural isomers calculated for the structural isomers of shown in Fig. 5.

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/content/aip/journal/jcp/122/9/10.1063/1.1853379
2005-03-02
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Structures of Mo2Oy− and Mo2Oy (y=2, 3, and 4) studied by anion photoelectron spectroscopy and density functional theory calculations
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/9/10.1063/1.1853379
10.1063/1.1853379
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