Electronic structures of the isolobal pair, Ru3(CO)9(CH)2 and (BH)3(CH)2; the eighteen-electron rule versus skeletal electron-pair counting
- Additional Document Info
- View All
The isolobal relationship between Ru(CO)3 and BH is explored through detailed comparisons of molecular- orbital calculations on the clusters, Ru3(CO)9(CH)2 and (BH)3(CH)2. In addition to the principle bonds, which are the same as those one would predict from skeletal electron-pair counting (SEPC), the molecular-orbital calculations suggest that there are important secondary bonding interactions not predicted by SEPC. The most important of these are the interactions one would invoke if one enforced the 18-electron rule on Ru. Thus, the "t2g" electron pairs, which SEPC views as spectator pairs, are actually involved in the bonding to a small degree. © 1993.
author list (cited authors)