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Write $R$ for the current growing chain. Propene first binds at the available site of $[\mathrm{C}{\mathrm{p}}_2\mathrm{ZrR}{]}^{+}$, giving a coordinated alkene adjacent to the metal-bound chain. In the Cossee-Arlman mechanism, the chain migrates to the substituted alkene carbon while the terminal carbon forms the new Zr–C bond:The electron-pair arrows for insertion take the old Zr–R bond toward the substituted alkene carbon and the alkene pi bond toward the new Zr–terminal-carbon bond. A four-center arrangement permits both bonds to change in one migratory insertion; Zr remains Zr(IV). The product again has an accessible site, so coordination and insertion can repeat.

Predominant 1,2 insertion leaves a primary Zr–CH${}_2$ chain end and generates head-to-tail polypropylene. It avoids the more crowded alternative secondary Zr–CH(Me) end and unfavorable methyl contacts with the cyclopentadienyl ligands in the insertion geometry. This explains regioselectivity. An unbridged, unsubstituted zirconocene does not by itself establish a fixed tacticity; the schematic alignment of methyl groups in a polymer drawing is not evidence for an isotactic product.

Write $L^{-}$ for the cyclopentadienyl ligand bearing its $\mathrm{C}{\mathrm{H}}_2$–2-pyridyl arm; ${\eta }^5:\kappa N$ means that its ring and pyridyl nitrogen both bind the same metal. $D=[\mathrm{Mo}({\eta }^5:\kappa N\text{-}L)(\mathrm{CO}{)}_2(\mathrm{NCMe}){]}^{+}$. The base removes the pyridinium N–H proton in $C$, restoring a pyridine lone pair. Intramolecular nitrogen coordination then replaces one acetonitrile ligand and closes a chelate ring. Both CO ligands are retained; the molybdenum remains Mo(II), $d^4$.

This is an proton transfer followed by chelation, with metal electron count $4+6+2_N+4_{\mathrm{CO}}+2_{\mathrm{NCMe}}=18$. The chelate effect, favorable formation of the Mo–N bond, and release of a solvent molecule explain the driving force. Merely invoking a 16-to-18-electron change would be misleading because $C$ is already 18-electron. In the preceding acid treatment, protonation of the ${\eta }^3$ allyl ligand allows release of propene; the other proton resides on the pendant pyridine, accounting for $C$'s overall $2+$ charge. One proton is removed here; the cyclopentadienyl tether is not deprotonated or detached.

Syndiotactic polypropylene is the expected principal product:The bridged cyclopentadienyl–fluorenyl metallocene has approximately $C_s$ site symmetry. Activation by methylaluminoxane gives a cationic zirconium–alkyl polymerization-active site. Repeated coordination chemistry and migratory insertion of propene extend the chain. The two environments encountered during successive insertions favor alternating stereochemistry, giving syndiotactic tacticity. There is no stoichiometric small molecule eliminated in the propagation step; initiator fragments and chain-transfer products belong to the end groups.

Polypropylene is formed from propene. Head-to-tail insertion gives the repeat connectivity $-\mathrm{C}{\mathrm{H}}_2-\mathrm{CH}(\mathrm{Me})-$. The stereochemical sequence of its substituted carbons determines its tacticity.

Propene is $\mathrm{C}{\mathrm{H}}_2=\mathrm{CHC}{\mathrm{H}}_3$. Protonation of an anionic allyl ligand can release it from a metal.