ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
High resolution x-ray excited (1487 eV photon energy) shake-up spectra of C6H6, C6H5OH, and C6H5CH2OH are presented. A large number of new structures are observed and an interpretation is made, for the first π–π* shake-up states, using INDO/CI calculations. The C1s shake-up spectra of C6H6 and C6H5CH2OH are similar but differ substantially from the C6H5OH C1s shake-up spectrum. This is explained as originating from the conjugation of the lone pair O2p orbitals in the latter case. It is also shown that the inelastic scattering excitations fall exactly under the shake-up spectrum. This observation has important consequences for the assignment of shake-up spectra from aromatic ring molecules in the solid phase.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.454043
