Theoretical study on the mechanism and kinetics of ring-opening polymerization of cyclic esters initiated by tin(II) n-butoxide

• Main Authors: Chanchai Sattayanon, Watit Sontising, Jitrayut Jitonnom, Puttinan Meepowpan, Winita Punyodom, Nawee Kungwan
• Format: Journal
• Published: 2018
• Subjects: Biochemistry, Genetics and Molecular Biology; Chemistry; Physics and Astronomy
• Online Access: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84903692226&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/53180
• Institution: Chiang Mai University

The coordination-insertion mechanisms of ring-opening polymerizations (ROP) of γ-valerolactone (GVL), δ-valerolactone (DVL) and l-lactide (LL) initiated by tin(II) n-butoxide were investigated using hybrid density functional theory at the B3LYP level with a mixed basis set. Analysis of geometries an...