Robert A. Metcalfe, Luiz C. G. Vasconcellos, Hameed Mirza, Douglas W. Franco, and A. B. P. Lever.
J. Chem. Soc. Dalton, 1999, 2653-2667
Choose here the figures you wish to see: {modified 9/9/1999}
Figure 1- picture of molecules
Figure 2 - CV of symmetric species oxidation
Figure 3- Ceric oxidation of sym. Ru(II)(catH4.catH4)Ru(II) species
Figure 4- Ceric oxidation of asym. Ru(II)(catH4.catH4)Ru(II) species
MOs for the symmetric (qH2.catH4) species
MOs for the asymmetric (qH2.catH4) species
MOs for the symmetric (qH2.qH2) species
MOs for the asymmetric (qH2.qH2) species
comparison frontier MOs for the sym and asym {qH2.qH2} species (Figure 6)
MOs for the (qH2.qH2) free ligand (Figure 5)
MOs for the (qH2.catH4) free ligand
Mixing diagram, fractional population for the symmetric species (Figure 7)
Mixing diagram, fractional population for the asymmetric species (Figure 8)
Orbital energies for the symmetric species (Figure 9)
Orbital energies for the asymmetric species (Figure 10)
The following links are to xyz files which portray the individual molecules- use CHIME to view them and rotate them etc. the sym and asym, cc, qc etc should be self-explanatory - the final "p" signifiies use of this specific structure in the paper.
