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
- 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 Lab., CA (United States)
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 603669
- Report Number(s):
- LBNL--39981; ON: DE97007345
- Country of Publication:
- United States
- Language:
- English
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Spatial structure determination of {bold (}{radical}3{times}{radical}3){ital R}30{degree} and (1.5{times}1.5){ital R}18{degree} CO or Cu(111) using angle-resolved photoemission extended fine structure
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