Crystal field orbitals

It may be seen that there is significant spin mixing in the lower four crystal field orbitals, e.g. that the 13e3g orbital has 41% spin-up (a) character on copper (mostly in dx -y = (Y22 + Y2-2)/ ), 45% character which is spin-down (3), and smaller contributions of both spins from the porphyrin. Unlike [Pt(CN)i ] that we looked at earlier,(12) there is no nearly pure dz (Y20) orbital, although most of this character is in the 13e2g orbital. 

Table III shows the populations for the "crystal field" orbitals, i.e. for those occupied orbitals with greater than 10% population on the iron atom. The comparison in this table is between the populations for the state (upper line in the table) and a...

Figure 1. Orbital energies for iron porphine. Table III. Crystal Field Orbitals for FePor ...

See also Metalloporphyrins crystal field orbitals, 68-69 exchange polarization, 67-69 orbitals energies, 69f Iron porphyrins... 

Draw a crystal field orbital energy-level diagram, and predict the number of unpaired electrons for each of the following complexes ... 

Figure 2.17 (a) Crystal field orbital descriptions for high- and low-spin iron(II) and iron(III). 

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