MCSCF CALCULATIONS ON THE VIBRATIONAL PROPERTIES OF CN- ADSORBED ON PLATINUM

Authors
FLAMENT JP TADJEDDINE M
Citation
Jp. Flament et M. Tadjeddine, MCSCF CALCULATIONS ON THE VIBRATIONAL PROPERTIES OF CN- ADSORBED ON PLATINUM, Chemical physics letters, 238(1-3), 1995, pp. 193-198
Citations number
16
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
238
Issue
1-3
Year of publication
1995
Pages
193 - 198
Database
ISI
SICI code
0009-2614(1995)238:1-3<193:MCOTVP>2.0.ZU;2-P
Abstract
The electronic and vibrational properties of CN- adsorbed on Pt electr odes have been studied through MCSCF calculations on the molecular ion s PtCN- and PtNC-. The results are in good agreement with experimental results obtained in situ by the non-linear optical technique of sum f requency generation.