Calculation of Stereoselectivity and Alternating Probability for Chiral Cyclic Esters Polymerization

GU Jun-yi; LAI Min; WU Jin-cai

doi:10.14028/j.cnki.1003-3726.2024.24.073

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Calculation of Stereoselectivity and Alternating Probability for Chiral Cyclic Esters Polymerization

更新时间：2024-09-24

- Calculation of Stereoselectivity and Alternating Probability for Chiral Cyclic Esters Polymerization
- Polymer Bulletin Vol. 37, Issue 10, Pages: 1482-1498(2024)
- 作者机构：
  
  1.南京信息工程大学物理与光电工程学院，南京　 210044
  2.兰州大学化学化工学院，兰州　 730000
- 作者简介：
- 基金信息：
- DOI：10.14028/j.cnki.1003-3726.2024.24.073
  CLC：
- Published：20 October 2024，
  
  Published Online：18 June 2024，
  
  Received：15 March 2024，
  
  Accepted：09 May 2024
- 稿件说明：
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顾君毅, 赖敏, 邬金才. 手性环酯单体聚合反应的立体选择性和交替概率计算. 高分子通报, 2024, 37(10), 1482–1498

Gu, J. Y.; Lai, M.; Wu, J. C. Calculation of stereoselectivity and alternating probability for chiral cyclic esters polymerization. Polym. Bull. (in Chinese), 2024, 37(10), 1482–1498
顾君毅, 赖敏, 邬金才. 手性环酯单体聚合反应的立体选择性和交替概率计算. 高分子通报, 2024, 37(10), 1482–1498 DOI： 10.14028/j.cnki.1003-3726.2024.24.073.

Gu, J. Y.; Lai, M.; Wu, J. C. Calculation of stereoselectivity and alternating probability for chiral cyclic esters polymerization. Polym. Bull. (in Chinese), 2024, 37(10), 1482–1498 DOI： 10.14028/j.cnki.1003-3726.2024.24.073.

摘要

手性单体均聚物和共聚物的立体结构和单体/单元序列结构是聚合物规整程度的一个重要参数。提高聚合反应的立体选择性以及提高两种不同手性单体共聚合反应的交替选择性是得到高规整度聚合物的重要手段。为了展示一个新催化合成体系的性能，通过聚合物的核磁图谱解析聚合物的微观结构，进而推导聚合反应的立体选择性和交替选择性是必要的分析手段。近年来，手性环酯单体立体选择性聚合以及交替聚合有较多工作被报道，然而就计算方法的相关文献特别是中文文献还很少。本文总结了外消旋手性单体均聚物中不同手性构型多元组信号的指认方法，进而展示了基于链末端控制机理、位点控制机理的立体选择性计算方法，以及基于不同手性单体的交替聚合反应所得聚合物的交替概率计算方法。

Abstract

The stereostructure and monomer/unit sequence structure of chiral monomer homopolymers and copolymers are important parameters of the regularity of polymer. Improving the stereoselectivity of polymerization reactions and increasing the alternating level of two different chiral monomer copolymerization reactions are important means to obtain high regularity polymers. In order to demonstrate the performances of a new catalytic synthesis system

it is necessary to analyze the microstructure of the polymer through its nuclear magnetic resonance spectrum

and then derive the stereoselectivity and alternating level of the polymerization reaction. In recent years

there have been many publications on stereoselective polymerization and alternating polymerization of chiral cyclic ester monomers. However

there are few relevant literature

especially Chinese literature

on calculation methods. This article provides a systematic review of the identification of different chiral configurations in racemic chiral monomer homopolymers

and further demonstrates the stereoselectivity calculation methods based on two stereoselective mechanisms: chain end control mechanism and site control mechanism

as well as the alternating probability calculation method for polymers obtained from alternating polymerization reactions of different chiral monomers.

关键词

立体结构序列结构多元组立体选择性交替概率

Keywords

StereostructureSequence structureMultiadsStereoselectivityAlternating probability

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