Abstract
The electronic and vibrational properties of CN − adsorbed on Ag electrodes have been studied through ab initio multiconfigurational self-consistent field (MCSCF) calculations of the molecular ions AgCN − and AgNC − and compared with PtCN − and PtNC −. Results of calculations are consistent with the experimental data obtained by in situ visible infrared sum frequency generation (SFG) spectroscopy of CN − adsorbed on polycrystalline Ag and Pt electrodes.
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