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.
Experimental angular intensity data from the image of photodetachment at 610 nm (2.034 eV). The solid line fit represents the determination of β.
Photodetachment binding energy spectrum of collected at (a) 610 nm, (b) 585 nm, and (c) 585 nm excitation.
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.
Schematic representation of molecular orbitals and electronic configuration of the 1Σ+ state of .
Schematic diagram of the energy levels of anionic and neutral AuC2, 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.
Franck-Condon spectral simulations of the binding energy spectra using the calculated CCSD(T) parameters; (a) 2 A′ ← 1Σ+, (b) 2 A′ ← 3 A′, (c) 2Π ← 1Σ+, and (d) 2Π ← 3Π transitions.
Peak positions, peak separations, and assignments taken from the binding energy spectrum collected at a photodetachment wavelength of 610 nm.
Relative energies (eV) harmonic vibrational frequencies (cm−1), and Mulliken population charges (e) for the 1Σ+, 3 A′, 3Π, 2 A′, and 2Π states calculated at CCSD(T)/aug-cc-pVDZ (see details in text).
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