VIBRATIONAL PROPERTIES OF CN- ADSORBED ON PLATINUM AND SILVER - AB-INITIO MCSCF CALCULATIONS COMPARED WITH SFG EXPERIMENTS

Authors
TADJEDDINE M FLAMENT JP TADJEDDINE A
Citation
M. Tadjeddine et al., VIBRATIONAL PROPERTIES OF CN- ADSORBED ON PLATINUM AND SILVER - AB-INITIO MCSCF CALCULATIONS COMPARED WITH SFG EXPERIMENTS, Journal of electroanalytical chemistry [1992], 408(1-2), 1996, pp. 237-242
Citations number
17
Categorie Soggetti
Electrochemistry,"Chemistry Analytical
Journal title
Journal of electroanalytical chemistry [1992]
ISSN journal
15726657 → ACNP
Volume
408
Issue
1-2
Year of publication
1996
Pages
237 - 242
Database
ISI
SICI code
Abstract
The electronic and vibrational properties of CN- adsorbed on Ag electr odes have been studied through ab initio multiconfigurational self-con sistent field (MCSCF) calculations of the molecular ions AgCN- and AgN C- and compared with PtCN- and PtNC-. Results of calculations are cons istent with the experimental data obtained by in situ visible infrared sum frequency generation (SFG) spectroscopy of CN- adsorbed on polycr ystalline Ag and Pt electrodes.