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Gas-phase electronic spectroscopy of the indene cation (C9H8 +)
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10.1063/1.4808380
/content/aip/journal/jcp/138/22/10.1063/1.4808380
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/22/10.1063/1.4808380

Figures

Image of FIG. 1.
FIG. 1.

Lower energy structures of the In–Ar( = 1, 2) and In–He complexes. In each case, the binding energy ( ) of the rare gas atom and the perpendicular distance from the rare gas atom to the molecular plane are shown.

Image of FIG. 2.
FIG. 2.

Electronic spectrum of In–Ar recorded by monitoring In photofragments. An expanded view of the D ← D band system is given in Fig. 4 .

Image of FIG. 3.
FIG. 3.

Molecular orbitals involved in the D ← D transition of In (top), along with calculated equilibrium geometries for D and D electronic states (bottom).

Image of FIG. 4.
FIG. 4.

Experimental and simulated D ← D spectra for In–Ar (top) and In–He (bottom). Peaks in the simulated spectra were assumed to be Gaussians with FWHMs of 35 cm for In–Ar and 15 cm for In–He. Fully assigned spectra are provided in the supplementary material.

Image of FIG. 5.
FIG. 5.

Franck-Condon active vibrational modes for the D ← D transition of In.

Tables

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Table I.

Experimental origin transition energies of In and calculated TD-DFT vertical (adiabatic) transition energies and oscillator strengths () of In and isomer B (see Table II ).

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Table II.

Energies of various CH isomers relative to In (isomer A).

Generic image for table
Table III.

Measured transition frequencies (cm) and assignments for In–He and In–Ar. Estimated uncertainties for the D ← D transitions are ±15 cm and for the D ← D transitions are ±25 cm. Also listed are calculated vibrational frequencies for In in the D state.

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/content/aip/journal/jcp/138/22/10.1063/1.4808380
2013-06-11
2014-04-17
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Gas-phase electronic spectroscopy of the indene cation (C9H8+)
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/22/10.1063/1.4808380
10.1063/1.4808380
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