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Physical Review B
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Determination of the state of hybridization of unsaturated hydrocarbons chemisorbed on nickel

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Abstract

The uv photoemission valence orbital spectra of adsorbed acetylene, ethylene, propylene, and benzene on Ni(lll) are compared with gas-phase spectra as well as Hartree-Fock ground-state orbital energies calculated using a self-consistent-field linear-combination-of-atomic-orbitals method for a range of possible hybridizations of the carbon atoms. We conclude that the chemisorption bonding of these unsturated hydrocarbons involves predominantly -d bonding without any significant rehybridization relative to their gas-phase counterparts. © 1976 The American Physical Society.

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Physical Review B

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