The d-electrons of Fe in ferrocene: the excess orbital energy spectrum (EOES)
Author:
Affiliation:
1. Molecular Model Discovery Laboratory
2. Department of Chemistry and Biotechnology
3. Faculty of Science, Engineering and Technology
4. Swinburne University of Technology
5. Melbourne
Abstract
The EOES (Δεi=εE-Fci −εS-Fci) shows that the orbitals with significantly excess energies are Fe d-electron dominant.
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2015/RA/C4RA14506B
Reference56 articles.
1. A New Type of Organo-Iron Compound
2. The Determination of Barriers to Internal Rotation by Means of Electron Diffraction. Ferrocene and Ruthenocene.
3. F. A. Cotton and G.Wilkinson, Advanced Inorganic Chemistry, John Wiley & Sons, New York, 5th edn, 1988
4. Electronic structure, spectroscopy, and photochemistry of group 8 metallocenes
5. THE STRUCTURE OF IRON BIS-CYCLOPENTADIENYL
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