Oxygen, chemisorption toluene

Fig. 25. A1 ternative toluene chemisorption systems involving the bipyramidal surface cluster of vanadium pentoxide. The structures (a, c, e, g, i) represent molecularly adsorbed toluene, while the remaining systems (b, d, f, h) model the dissociative adsorption, with two methyl hydrogens chemically bonded to the surface oxygens at the pyramid bases. Asterisks indicate positions which give rise to unstable MEC. The three atoms of the parallel complex (i), marked with an arrow, denote the extra instabilities appearing when the closed-system constraint (d N = 0) is imposed. The results are taken from Ref. 8. At each diagram the (I, E) stability diagnosis is also indicated (see Fig. 24)...

We have presented results for the dependence upon activation of the chemisorption of ammonia, carbon monoxide, carbon dioxide, and oxygen in Section VI, of hydrogenation and isomerization of hexenes and of exchange between deuterium and the ring and side chain of toluene in Section VII. Despite our attempts to control the activation conditions carefully there is a regrettable degree of scatter in our results. However, the bulk and surface condensations are clearly complicated in detail and the surface area of chromia is known to be a rather sensitive function of the exact details of activation (28). 

---