Chuma Anthony, Horn Hans W, Swope William C, Pratt Russell C, Zhang Lei, Lohmeijer Bas G G, Wade Charles G, Waymouth Robert M, Hedrick James L, Rice Julia E
IBM Almaden Research Center, 650 Harry Road, San Jose, California 95032, USA.
J Am Chem Soc. 2008 May 28;130(21):6749-54. doi: 10.1021/ja0764411. Epub 2008 May 3.
We have investigated two alternative mechanisms for the ring-opening polymerization of l-lactide using a guanidine-based catalyst, the first involving acetyl transfer to the catalyst, and the second involving only hydrogen bonding to the catalyst. Using computational chemistry methods, we show that the hydrogen bonding pathway is considerably preferred over the acetyl transfer pathway and that this is consistent with experimental information.
我们研究了使用胍基催化剂进行左旋丙交酯开环聚合的两种替代机制，第一种涉及乙酰基转移至催化剂，第二种仅涉及与催化剂形成氢键。通过计算化学方法，我们表明氢键途径比乙酰基转移途径更受青睐，且这与实验信息一致。
