INTRAMOLECULAR VIBRATIONAL COUPLING OF ADSORBATES PROBED USING HREELSAND AB-INITIO CALCULATIONS - ETHOXIDES ADSORBED ON MO(110)

Authors
UVDAL P MACKERELL AD WIEGAND BC
Citation
P. Uvdal et al., INTRAMOLECULAR VIBRATIONAL COUPLING OF ADSORBATES PROBED USING HREELSAND AB-INITIO CALCULATIONS - ETHOXIDES ADSORBED ON MO(110), Journal of electron spectroscopy and related phenomena, 64-5, 1993, pp. 193-199
Citations number
19
Categorie Soggetti
Spectroscopy
Journal title
Journal of electron spectroscopy and related phenomena → ACNP
ISSN journal
03682048
Volume
64-5
Year of publication
1993
Pages
193 - 199
Database
ISI
SICI code
0368-2048(1993)64-5:<193:IVCOAP>2.0.ZU;2-S
Abstract
High resolution electron energy loss spectroscopy (HREELS) has been us ed to record vibrational spectra of intermediate ethoxides, non-deuter ated and deuterated, adsorbed on Mo(110). The vibrational shifts induc ed by deuteration can not be interpreted within the harmonic approxima tion and therefore strictly not within the normal mode concept. It is demonstrated how ab initio molecular orbital calculations of small eth oxide-metal clusters give results in agreement with experimentally obs erved vibrational spectra.