Tin (IV) alkoxide initiator design for poly (d-lactide) synthesis using DFT calculations

• Main Authors: Lawan N., Muangpil S., Kungwan N., Meepowpan P., Lee V.S., Punyodom W.
• Format: Article
• Language: English
• Published: 2014
• Online Access: http://www.scopus.com/inward/record.url?eid=2-s2.0-84882986421&partnerID=40&md5=df730921609e409ac7a9d1a1d6d35dfc; http://cmuir.cmu.ac.th/handle/6653943832/7116
• Institution: Chiang Mai University

The ring-opening polymerization (ROP) mechanism of d-lactide using tin (IV) alkoxides, (CH3(CH2)3)3SnOR, as initiators was theoretically studied. The high level adiabatic mapping B3LYP/LANL2DZ calculations were performed. This work evaluates role of the tin (IV) alkoxide initiators and gives molecul...