Abstract
Molecular-orbital calculations on the iron dimer are combined with Mössbauer data on monomeric and dimeric iron dissolved in solid noble gases to suggest for the dimer an Fe-Fe separation somewhat over 3.99 Å, to indicate for a nuclear quadrupole moment of +0.20±0.03 b, and to support the choices of and for the electron densities produced at the nucleus of an iron atom by a pair of electrons in configuration and by a single electron in configuration , respectively.
- Received 5 September 1972
DOI:https://doi.org/10.1103/PhysRevB.7.4755
©1973 American Physical Society