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

• Main Authors: Sattayanon C., Sontising W., Jitonnom J., Meepowpan P., Punyodom W., Kungwan N.
• 格式: Article
• 語言: English
• 出版: Elsevier 2014
• 在線閱讀: http://www.scopus.com/inward/record.url?eid=2-s2.0-84903692226&partnerID=40&md5=fe765124702ec3c833f21d274991d677; http://cmuir.cmu.ac.th/handle/6653943832/4880

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...