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. Author manuscript; available in PMC: 2010 Sep 16.
Published in final edited form as: J Inorg Biochem. 2007 Jul 21;101(11-12):1594–1600. doi: 10.1016/j.jinorgbio.2007.07.011

Table 1.

Averages of pre-edge energies (E), unfilled metal-based orbital (Ψ*), intensities (D0), number of holes per expected orbital (N), transition dipole integral (I(S)), and sulfur covalencies (α2, %) for multiple reasonable fits.

Ψ* E (eV) D0 N I(S) α2
(Et4N)[MoVO(bdt)2] dx2−y2 2469.97 0.1411 1 15.01 11
dxz/dyz 2471.83 1.0434 2 42
dxy/dz2 2472.79 1.2908 2 52
(PPh4)[WVO(bdt)2] dx2−y2 2470.68 0.2414 1 15.30 19
dxz/dyz 2472.53 0.9433 2 37
dxy/dz2 2473.23 1.4286 2 56