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. Author manuscript; available in PMC: 2010 Sep 21.
Published in final edited form as: Inorg Chem. 2009 Sep 21;48(18):8856–8862. doi: 10.1021/ic9011058

Figure 4.

Figure 4

The calculated SOMO for representative alkoxide (B) and diolato (D) molecules. The SOMOs are primarily the lone Mo 4d1 electron, but they also contain considerable anti-bonding character from the O pπ orbitals.