A Simple Interpretation of the Fe,- Photoelectron Spectrum
نویسندگان
چکیده
The photoelectron spectrum of Fe,can be simply interpreted in terms of electron detachment from the mildly antibonding 4.~0: orbital of a ( ~ S O ~ ) ~ ( ~ S C Y = ) ~ ( ~ ~ ) ~ ~ anion. configuration for the ground state of Fe,, correlating with one ground state (4s23d6) and one excited state (4s13d7) Fe atom. A comparison of the bond length and vibrational frequency of Fe, to values for transition metal dimers containing single 4s-4s bonds is suggestive of 3d-3d bonding in this molecule. The results of preliminary full-valence configuration interaction calculations provide strong support for the proposed Fe, and Fe,configurations. This interpretation implies a (4~0,)~(4~0:)'(3d)~~
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