Identification of shake-up satellites in valence photoelectron spectra of organic compounds by comparison with electronic absorption spectra of radical cations. Case study: Octafluoronaphthalene
✍ Scribed by Georg Hohlneicher; Dieter Distler; Martin Müller; Hans-Joachim Freund
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 629 KB
- Volume
- 111
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
EIectronic absorption spectroscopy of rIm~~icaUy prepared octatIuoronapbtbalenc radkd eations is used to identify a sbake-up transition in the valence pbotoefectron spectrum of the same compound excited b,HeI radiition_ It is shown by comparison with tbeoreticai calculations that in photoemission a twoelectron process populating a srate ofBtg syrnmetv borrows intensity from a close-lying 1lOle state of tile same symmetry. Absorption of a photon by tbe radical cation populates the same state by a one-electron excitation with rather large oscillator strength (E = 1.6 x 104). * This is reasonable according to eq. (3): rhe two-electron process involves the au orbital twice and the unoccupied b,, orbital once. The coupling constant for this b % orbital is ?&en as half of the s cdupling constant due to Its larger anti-bonding character.