Structures and Properties of trans-1,3,3,3-Tetrafluoro- propene (HFO-1234ze) and 2,3,3,3-Tetrafluoropropene (HFO-1234yf) Refrigerants |
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| Authors: | Dr Jan Schwabedissen Timo Glodde Dr Yury V Vishnevskiy Dr Hans-Georg Stammler Lukas Flierl Prof Dr Andreas J Kornath Prof Dr Norbert W Mitzel |
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| Institution: | 1. Lehrstuhl für Anorganische Chemie und Strukturchemie, Fakultät für Chemie Universität Bielefeld, Universitätsstraße 25, 33615 Bielefeld, Germany;2. Department of Chemistry, Ludwig-Maximilian University, Butenandtstraße 5–13 (Haus D), 81377 Munich, Germany |
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| Abstract: | The refrigerant trans-1,3,3,3-tetrafluoropropene (HFO-1234ze) is used as a replacement for former cooling agents that have been phased-out due to their global warming potential or ozone depleting potential. Although it is used on a large scale, only a few vibrational data and no structural data of HFO-1234ze are known. We report structure determinations based on low-temperature single-crystal X-ray diffraction data as well as gas-phase diffraction data of HFO-1234ze and HFO-1234yf (2,3,3,3-tetrafluoropropene). Furthermore, vibrational spectra of HFO-1234ze in all phases are described. The results are discussed together with quantum-chemical calculations on the PBE0/cc-pVTZ level of theory. Combustion experiments of HFO-1234ze show carbonyl difluoride, carbon dioxide and hydrogen fluoride to be the main combustion products. |
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| Keywords: | refrigerants high-angle X-ray diffraction vibrational spectra matrix isolation combustion analysis |
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