Sulfur-substitution-enhanced crystallization and crystal structure of poly(trimethylene monothiocarbonate) |
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| Affiliation: | 1. MOE Key Laboratory of Macromolecular Synthesis and Functionalization, Department of Polymer Science and Engineering, Zhejiang University, Hangzhou 310027, China;2. Center of Chemistry for Frontier Technologies, Zhejiang University, Hangzhou 310027, China;3. Department of Chemistry, Zhejiang University, Hangzhou 310027, China;4. Department of Polymer Science and Engineering, College of Chemical Engineering, Dalian University of Technology, Dalian 116024, China |
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| Abstract: | In this paper, the crystallization behavior of a novel poly(monothiocarbonate), poly(trimethylene monothiocarbonate) (PTMMTC), was investigated and compared with its polycarbonate analogue, poly(trimethylene carbonate) (PTMC). It is found that PTMMTC exhibits strong crystallizability, while unstretched PTMC is amorphous. DSC and DMA results reveal that PTMMTC possesses higher glass transition temperature (Tg) and β-transition temperature (Tβ) than PTMC. Simulation based on density functional theory (DFT) shows that, the bond angle of C-S-C is evidently smaller than that of C-O-C, and thus a larger dipole moment. This leads to the stronger intermolecular interaction and more rigid chain conformation in PTMMTC, which is the origin of sulfur-substitution enhanced crystallization. The crystal structure of PTMMTC was preliminarily determined for the first time. PTMMTC has an orthorhombic crystal structure with a planar zig-zag chain conformation. The parameters of unit cell are a = 10.74 Å, b = 4.79 Å, and c (fiber axis) = 7.74 Å. |
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