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- W2010451208 abstract "We have completed Fenske-Hall LCAO-MO-SCF calculations on B5H9, 1-Fe(CO)3B4H8, 2-Fe(CO)3B4H8, and 1,2-[Fe(CO)3]2B3H7. Comparison of orbital contour diagrams of the a1 and e cluster MO's for B5H9 and 1-Fe(CO)3B4H8 demonstrates the validity of the isolobal principle. In addition it is found that the apical and basal BH units of B5H9 have practically identical Mulliken overlap populations for framework cluster-type interactions. Further, in all the ferraboranes the 1-Fe(CO)3 (apical) units have a larger cluster-type Mulliken overlap population than do the 2-Fe(CO)3 (basal) units. The Fe(CO)3 units have less electronic charge than do the BH units. The cluster-type Mulliken overlap population for an Fe(CO)3 group is much less than that of the isolobal BH unit, but this may result from an artifact of the Mulliken overlap population analysis." @default.
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- W2010451208 title "On the validity of the isolobal principle: Pentaborane(9) and its ferraborane derivatives" @default.
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- W2010451208 doi "https://doi.org/10.1016/s0277-5387(00)81605-8" @default.
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