FeO4: A unique example of a closed-shell cluster mimicking a superhalogen

Authors
Gutsev, GL Khanna, SN Rao, BK Jena, P
Citation
Gl. Gutsev et al., FeO4: A unique example of a closed-shell cluster mimicking a superhalogen, PHYS REV A, 59(5), 1999, pp. 3681-3684
Citations number
20
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW A
ISSN journal
10502947 → ACNP
Volume
59
Issue
5
Year of publication
1999
Pages
3681 - 3684
Database
ISI
SICI code
1050-2947(199905)59:5<3681:FAUEOA>2.0.ZU;2-D
Abstract
First-principles calculations based on the generalized gradient corrected d ensity-functional theory reveal that iron tetraoxide (FeO4), in spite of it s closed-shell structure, has an electron affinity that is larger than that of any known halogen atom. This novel property is shown to be a manifestat ion of the special bonding characteristics of d-electron systems and can pl ay an important role in chemical and biological processes. [S1050-2947(99)0 1505-X].