The ESCA Spectra of Benzene and the Iso-electronic Series, Thiophene, Pyrrole and Furan
U. GeliusInstitute of Physics, Uppsala University, Uppsala, SwedenC.J. AllanNational Research Council of Canada Postdoctoral FellowG. JohanssonInstitute of Physics, Uppsala University, Uppsala, SwedenHans SiegbahnInstitute of Physics, Uppsala University, Uppsala, SwedenDavid A. AllisonKai SiegbahnInstitute of Physics, Uppsala University, Uppsala, Sweden
1971en
ABI
Аннотация
The ESCA spectra of C6H6, C4H4S, C4H5N and C4H4O have been studied using MgKα radiation, 1253.6 eV. The study included both the core orbitals and the valence orbitals. The C1s chemical shifts have been compared with the shifts predicted by the potential model, using both CNDO and ab initio gross atomic charges. We have obtained the binding energies of the deeper lying valence orbitals which cannot be reached by ultraviolet radiation. Further, the valence orbital spectra have been analysed using line intensities predicted from the atomic population of the molecular orbitals.
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