In this contribution, we report density functional theory calculations on the transition metal complex (η 5 -C 5 H 5 )Fe(CO) 2 Cl and its fragments in differently charged states (anionic, neutral, cationic). The results are compared to literature data. The work is motivated by the long-term objectiv
✦ LIBER ✦
Electron Density and Charge Distribution around the Metal Atom in [Cp*Fe(η5-As5)]
✍ Scribed by Rolfe H. Herber; Otto J. Scherer
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 227 KB
- Volume
- 2000
- Category
- Article
- ISSN
- 1434-1948
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✦ Synopsis
57 Fe Mössbauer effect spectroscopy has been used to study the charge density, charge distribution, and lattice dynamics in the ferrocene-related compound [Cp*Fe(η 5 -As 5 )]. The isomer shift (at 90 K) is significantly more positive than that observed for the related η 5 -P 5 homologue reported earlier, while the quadrupole hyperfine interaction is essentially the same in both compounds, but only about a quarter of that [a]
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