Electron attachment to ethyl adsorbed on platinum

Authors
Citation
Jl. Whitten, Electron attachment to ethyl adsorbed on platinum, J PHYS CH B, 105(18), 2001, pp. 4026-4030
Citations number
15
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY B
ISSN journal
15206106 → ACNP
Volume
105
Issue
18
Year of publication
2001
Pages
4026 - 4030
Database
ISI
SICI code
1520-6106(20010510)105:18<4026:EATEAO>2.0.ZU;2-A
Abstract
Ab initio electronic structure calculations are performed on ethyl adsorbed on Pt(100) to investigate whether photoexcitation and the resulting electr on attachment to ethyl will induce dissociation by H transfer to the surfac e. Calculations are carried out using an embedded cluster description of th e adsorbate-metal system, and excited electronic states are resolved by con figuration interaction theory. The results show there is no barrier to H tr ansfer in the excited state, thereby predicting that ethylene will be forme d if the excited state has sufficient lifetime.