A Comparative Study of 2-Dimensional X-ray Diffraction Crystal Structures of Poly(tetramethylene carbonate) and Poly(tetramethylene trithiocarbonate)

WANG Hai

doi:10.14028/j.cnki.1003-3726.2025.24.324

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A Comparative Study of 2-Dimensional X-ray Diffraction Crystal Structures of Poly(tetramethylene carbonate) and Poly(tetramethylene trithiocarbonate)

更新时间：2025-03-28

- A Comparative Study of 2-Dimensional X-ray Diffraction Crystal Structures of Poly(tetramethylene carbonate) and Poly(tetramethylene trithiocarbonate)
- Polymer Bulletin Vol. 38, Issue 4, Pages: 659-665(2025)
- 作者机构：
  
  大连理工大学化工学院高分子材料系，大连 116024
- 作者简介：
- 基金信息：
- DOI：10.14028/j.cnki.1003-3726.2025.24.324
  CLC：
- Received：28 October 2024，
  
  Accepted：20 December 2024，
  
  Published Online：18 February 2025，
  
  Published：20 April 2025
- 稿件说明：
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王海. 聚四亚甲基碳酸酯和聚四甲基硫代碳酸酯的二维X射线衍射晶体结构对比研究. 高分子通报, 2025, 38(4), 659–665.

Wang, H. A comparative study of 2-dimensional X-ray diffraction crystal structures of poly(tetra-methylene carbonate) and poly(tetramethylene trithiocarbonate). Polym. Bull. (in Chinese), 2025, 38(4), 659–665.
王海. 聚四亚甲基碳酸酯和聚四甲基硫代碳酸酯的二维X射线衍射晶体结构对比研究. 高分子通报, 2025, 38(4), 659–665. DOI： 10.14028/j.cnki.1003-3726.2025.24.324.

Wang, H. A comparative study of 2-dimensional X-ray diffraction crystal structures of poly(tetra-methylene carbonate) and poly(tetramethylene trithiocarbonate). Polym. Bull. (in Chinese), 2025, 38(4), 659–665. DOI： 10.14028/j.cnki.1003-3726.2025.24.324.

摘要

以可降解的聚四亚甲基碳酸酯和聚四亚甲基三硫代碳酸酯为研究对象，通过二维X射线衍射和数据解析初步构建了二者的晶体结构。聚四亚甲基碳酸酯的晶胞参数为

=9.4 Å，

=4.4 Å，

=15.2 Å，

=80°，

=98°，

=90°，每个晶胞含有2条反向平行的分子链，单个晶胞含有4个单体，分子链属于

1组群，其中的4个亚甲基呈GT-G构象。聚四亚甲基三硫代碳酸酯的

=8.1 Å，

=5.7 Å，

=18.4 Å，

=90°，

=85°，

=105°，同样的每个晶胞含有2条反向平行的分子链，单个晶胞含有4个单体，分子链属于P1组群，不同的是聚四亚甲基三硫代碳酸酯分子链上的4个亚甲基呈现TTT构象。而分子链构象的不同可能是造成二者力学性能差异的原因之一。

Abstract

This paper focused on degradable poly(tetramethylene carbonate) and poly(tetramethylene trithiocarbonate). The primary crystal structures of the two polymers were built based on 2D-X-ray diffraction and data analyses. Poly(tetramethylene carbonate) has a unit cell of

=9.4 Å

=4.4 Å

=15.2 Å

=80°

=98°

and

=90°. There are two anti-paralleled chains packed in one unit cell that includes four monomers and with P1 space symmetry. The four methylenes in the repeat unit are in GT-G conformation. Poly(tetramethylene trithiocarbonate) has a unit cell of

=8.1 Å

=5.7 Å

=18.4 Å

=90°

=85°

and

=105°. Similarly

there ar

e two anti-paralleled chains included in one unit cell with four monomers and P1 space symmetry. But the four methylenes of poly(tetramethylene trithiocarbonate) are in TTT conformation. The difference of chain conformation is probably one of the reasons that cause the diversity of the mechanical properties of the two polymers.

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