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Spectroscopic observation of gold-dicarbide: Photodetachment and velocity map imaging of the AuC2 anion
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10.1063/1.4803465
/content/aip/journal/jcp/138/17/10.1063/1.4803465
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/17/10.1063/1.4803465

Figures

Image of FIG. 1.
FIG. 1.

Raw (upper) and processed (lower) images of at photodetachment wavelengths of (a) 610 nm, (b) 585 nm, and (c) 560 nm, respectively. The arrow indicates the laser polarisation direction.

Image of FIG. 2.
FIG. 2.

Experimental angular intensity data from the image of photodetachment at 610 nm (2.034 eV). The solid line fit represents the determination of .

Image of FIG. 3.
FIG. 3.

Photodetachment binding energy spectrum of collected at (a) 610 nm, (b) 585 nm, and (c) 585 nm excitation.

Image of FIG. 4.
FIG. 4.

Lowest anion and neutral geometries obtained for the CCSD(T) calculations. Electronic energies are given relative to the global minimum neutral structure. The units for bond length are Angstroms and degrees for bond angle.

Image of FIG. 5.
FIG. 5.

Schematic representation of molecular orbitals and electronic configuration of the Σ state of .

Image of FIG. 6.
FIG. 6.

Schematic diagram of the energy levels of anionic and neutral AuC, and possible photodetachment transitions. The coordinate along the x-direction reflects the Au–C bond length and the potential curves represent the Au–C–C bond angle.

Image of FIG. 7.
FIG. 7.

Franck-Condon spectral simulations of the binding energy spectra using the calculated CCSD(T) parameters; (a) Σ, (b) , (c) Π ← Σ, and (d) Π ← Π transitions.

Tables

Generic image for table
Table I.

Peak positions, peak separations, and assignments taken from the binding energy spectrum collected at a photodetachment wavelength of 610 nm.

Generic image for table
Table II.

Relative energies (eV) harmonic vibrational frequencies (cm), and Mulliken population charges () for the Σ, , Π, , and Π states calculated at CCSD(T)/aug-cc-pVDZ (see details in text).

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/content/aip/journal/jcp/138/17/10.1063/1.4803465
2013-05-07
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Spectroscopic observation of gold-dicarbide: Photodetachment and velocity map imaging of the AuC2 anion
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/17/10.1063/1.4803465
10.1063/1.4803465
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