Figure 1
Scheme of the molecular graph evolutions as a function of the configurational changes of the M2CO fragment. Solid bold lines represent schematic bond paths; dashed lines represent significant delocalization indices in the absence of a direct bond path. Note that, upon formation of a bridge, the M—M density is progressively withdrawn by the more acidic carbonyl, with consequent rupture of the M—M bond path. Along the conversion, the total delocalization (made by one M—M and several M—C electron sharing) is almost preserved. (IIIa) and (IIIb) differ only in the asymmetry of the former. In scheme (I), δ ∼ 0.1 occurs between all equatorial CO's bound to one side metal and the opposite metal. |