1,3-Butadiene polymerization

3D Model

Animation, including orbitals of the polimerization of 1,3-Butadiene. Orbitals were calculated from orca 4.0.0.1.

–Stages–

1: Unpaired electron on polymer and delocalized/fully paired electrons on the monomer

2: Collapse of paired electrons on monomer into unpaired electrons

3: Re-hybridization of the 1 and 4 carbons to SP3

4: Collapse of remaining unpair electrons into pi-bond between the 2 and 3 carbons

5: Overlap of unpaired electrons on the terminal carbon of the polymer and monomer, resulting in bond formation

These models were made through a combination of ORCA, UCSF Chimera, and Blender.

https://orcaforum.kofo.mpg.de/app.php/portal https://www.rbvi.ucsf.edu/chimera https://www.blender.org/