Threshold Photoionization Study of Fe(CO) 5 versus ab Initio Calculations
✍ Scribed by Angeli, Celestino; Berthier, Gaston; Rolando, Christian; Sablier, Michel; Alcaraz, Christian; Dutuit, Odile
- Book ID
- 127367787
- Publisher
- American Chemical Society
- Year
- 1997
- Tongue
- English
- Weight
- 127 KB
- Volume
- 101
- Category
- Article
- ISSN
- 1089-5639
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## Abstract The electronic spectroscopy of CH~3~Mn(CO)~5~ has been investigated by means of __ab initio__ multiconfigurational MS‐CASPT2/CASSCF calculations. The absorption spectrum is characterized by a series of Metal‐Centered (MC) excited states in the UV energy domain (below 290 nm) that could
The magnetization (magnetic susceptibility), specific heat and electrical resistivity of a PrRhIn 5 single crystal were studied. Van Vleck-type paramagnetic behavior and strong magnetocrystalline anisotropy were observed, which is attributed to a strong crystal-field effect on the Pr 3+ ion. A cryst