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8200698 
Journal Article 
Structures and Properties of trans-1,3,3,3-Tetrafluoro- propene (HFO-1234ze) and 2,3,3,3-Tetrafluoropropene (HFO-1234yf) Refrigerants 
Schwabedissen, J; Glodde, T; Vishnevskiy, YV; Stammler, HG; Flierl, L; Kornath, AJ; Mitzel, NW; , 
2020 
CHEMISTRYOPEN
ISSN: 2191-1363 
Wiley-VCH Verlag 
Germany 
9 
9 
921-928 
English 
32913699 
WOS:000573591700005 
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. 
combustion analysis; high-angle X-ray diffraction; matrix isolation; refrigerants; vibrational spectra 
ChemistryOpen 
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     2,3,3,3-Tetrafluoropropene
     Carbonic difluoride
     1,3,3,3-Tetrafluoroprop-1-ene