Fig. 4: Proposed pathways for the chain propagation.
From: Direct synthesis of partially ethoxylated branched polyethylenimine from ethanolamine
Possible pathways for the formation of linear and branched PEI-1 and corresponding thermodynamic driving forces. Computed free energies ΔG423.15K in kcal mol−1 relative to 1 at the PBE0-D3(BJ)PCM(THF)/def2-TZVP//RI-BP86PCM(THF)/def2-SVP level.
