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Title: Spatial structure determination of ({radical}3 x {radical}3)R30{degrees} and (1.5 x 1.5)R18{degrees}CO on Cu(111) using angle-resolved photoemission extended fine structure

Technical Report ·
DOI:https://doi.org/10.2172/603669· OSTI ID:603669
; ;  [1]
  1. Lawrence Berkeley National Lab., CA (United States); and others

The authors report a study of the spatial structure of ({radical}3 x {radical}3)R30{degrees} (low coverage) and (1.5 x 1.5)R18{degrees} (intermediate coverage) CO adsorbed on Cu(111), using the Angle-Resolved Photoemission Extended Fine Structure (ARPEFS) technique at beamline 9.3.2 at the Advanced Light Source. The CO molecule adsorbs on an atop site for both adsorption phases. Full multiple-scattering spherical-wave (MSSW) calculations were used to extract the C-Cu. bond length and the first Cu-Cu layer spacing for each adsorption phase. The authors find that the C-Cu bond length remains unchanged with increasing coverage, but the 1st Cu-Cu layer spacing contracts at the intermediate coverage. They calculate the bending mode force constant in the (1.5 x 1.5)R18{degrees} phase to be K{sub {delta}} = 2.2 (1) x 10{sup {minus}12} dyne-cm/rad from their experimentally determined bond lengths combined with previously published infra-red absorption frequencies.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
DOE Contract Number:
AC03-76SF00098
OSTI ID:
603669
Report Number(s):
LBNL-39981; ON: DE97007345; TRN: 98:009606
Resource Relation:
Other Information: PBD: Apr 1997; Related Information: Is Part Of Advanced light source: Compendium of user abstracts 1993--1996; PB: 622 p.
Country of Publication:
United States
Language:
English