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Updated: May 30, 2026

The Preparation and Properties of Thermo-reversibly Cross-linked Rubber Via Diels-Alder Chemistry
Published on: August 25, 2016
Experimental FTIR and simulation studies on H-bonds of model polyurethane in solutions. I: In dimethylformamide (DMF)
Chunxia Zhang1, Zhiyong Ren, Zhigang Yin
1Henan Province Key Laboratory of Surface & Interface Science, Zhengzhou University of Light Industry, Zhengzhou 450002, China.
Abstract:
Polyurethane (PU) hard segment is one of the key factors determining the final PU properties whereas dimethylformamide (DMF), with the simplest tertiary amide, is one of the good solvents for PU. In the present paper, both FTIR and molecular simulation (QM/B3LYP) were used to study the hydrogen bonds (H-bonds) of PU model hard segment (PUMHS) in DMF. The FTIR characteristics and the H-bonding interaction between DMF and PUMHS, as well as in DMF and PUMHS themselves have been investigated. The results showed that the H-bonds not only exist in DMF and in PUMHS themselves, but also exist between PUMHS and DMF. Among them, seven H-bonding complexes between DMF and PUMHS were found based on different conformations. The H-bonding properties and the forming probabilities have been obtained and compared. The evolution of H-bonds of PUMHS in DMF with different concentration was qualitatively analyzed.
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