Many Electron Effects in the Photoelectron Spectra of Condensed Nitric Oxide,
Abstract
The valence and core level photoelectron spectra of NO condensed on various substrates as obtained by Tonner er al. can be successfully explained using an NO dimer model in which the two NO molecules form a weak N-N bond via the 2 Pi orbitals of the monomers, resulting in a nearly square geometry. In both the O(1s) and N(1s) regions of the x-ray spectrum there are two intense peaks separated by 3.4 eV. From generalized-valence-bond calculations we find for the N(1s) case, that the peak with the smaller electron binding energy arises from an intermolecular charge transfer from one NO monomer to the other, while the second peak arises from intramolecular screening. The first two peaks in the valence region, which have the smallest binding energies and are separated by 2.6 eV, arise from final states which have Superscript 2A Superscript 1 and Superscript 2B Superscript 2 symmetries, respectively. The 2 Pi orbitals of the monomers combine in-phase and out-of-phase to form a Subscript 1 and b Subscript 2 orbitals of the dimer. The resulting two final states of the dimer depend upon which orbital is occupied by the unpaired electron.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jan 17, 1984
- Accession Number
- ADA138130
Entities
People
- C. M. Kao
- R. P. Messmer
- T. C. Caves
Organizations
- University of Pennsylvania