The photoelectron spectrum of acetonitrile has been revisited under high resolution and high sensitivity using the He1 resonance line. Ionization of the three outermost valence molecular orbitals has been discussed in terms of ionization energies and vibrational frequencies. Additional vibration ter
The high resolution photoelectron spectrum of CS
β Scribed by D.C. Frost; S.T. Lee; C.A. McDowell
- Publisher
- Elsevier Science
- Year
- 1972
- Tongue
- English
- Weight
- 340 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The high resofution photoelectron spectrum of CS has been obtained. Ionization potrntkds are found nt 11.34 (Xk), 17.78 (A*lB, 15.83 (Bzc) and 18.03 (C'X) eV, and a spin-orbit bT;plitting of 278 cm-' is observed on the second band.
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The ionization potentials and the vibrational structure in the photoelectron spectrum of the CS molecule are calculated using a Green's function approach. The inclusion of many-body corrections to Koopmans' theorem is necessary in order to obtain the correct ordering of the first two ionization pote