Structures and Properties of -1,3,3,3-Tetrafluoro- propene (HFO-1234ze) and 2,3,3,3-Tetrafluoropropene (HFO-1234yf) Refrigerants.

ChemistryOpen

Lehrstuhl für Anorganische Chemie und Strukturchemie, Fakultät für Chemie Universität Bielefeld, Universitätsstraße 25, 33615, Bielefeld, Germany.

Published: September 2020

The refrigerant 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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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7469860PMC
http://dx.doi.org/10.1002/open.202000172DOI Listing

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