Prediction and interpretation of infrared intensities of polymethylene chain molecules |
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| Affiliation: | 1. Wroclaw University of Science and Technology, Faculty of Chemistry, Institute of Advanced Materials, Wyb. Wyspianskiego 27, 50-370 Wroclaw, Poland;2. Poznan University of Technology, Faculty of Materials Engineering and Technical Physics, Institute of Materials Research and Quantum Engineering, Piotrowo 3, 60-965 Poznan, Poland;3. Wroclaw University of Science and Technology, Faculty of Mechanical Engineering, Department of Mechanics, Materials and Biomedical Engineering, 25M. Smoluchowskiego Street, 50-370 Wroclaw, Poland |
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| Abstract: | We have calculated the IR intensities of some polymethylene chain molecules containing conformational defects or polar heads. Calculations provide spectroscopic markers of end-TG, GTG', GTG, GG and GGTGG defects. Further, a spectroscopical study of interactions between polar heads and alkyl chain is allowed. |
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