66711-86-2Relevant articles and documents
Method for preparing E-1, 1, 1, 4, 4, 4-hexafluoro-2-butene by gas phase fluorination
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Paragraph 0031-0033, (2021/05/01)
The invention discloses a method for preparing E-1, 1, 1, 4, 4, 4-hexafluoro-2-butene by gas-phase fluorination. The method comprises the following steps: in the presence of a fluorination catalyst, carrying out fluorination reaction on tetrafluorobutane or tetrachlorobutane and hydrogen fluoride to obtain the E-1, 1, 1, 4, 4, 4-hexafluoro-2-butene. The method is mainly used for efficiently and continuously producing E-1, 1, 1, 4, 4, 4-hexafluoro-2-butene in a circulating manner.
PROCESS FOR MAKING 1,1,1,4,4,4-HEXAFLUORO-2-BUTENE
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Page/Page column 8-9, (2009/10/22)
A process is disclosed for making 1,1,1,4,4,4-hexafluoro-2-butene. The process involves reacting 2,2-dichloro-1,1,1-trifluoroethane with copper in the presence of an amide solvent and 2,2'-bipyridine. A process is also disclosed for making 1,1,1,4,4,4-hexafluoro-2-butene. The process involves reacting 2,2-dichloro-1,1,1-trifluoroethane with copper in the presence of an amide solvent and a Cu(I) salt. A process is further disclosed for making 1,1,1,4,4,4-hexafluoro-2-butene. The process involves reacting 2,2-dichloro-1,1,1-trifluoroethane with copper in the presence of an amide solvent, 2,2'-bipyridine and a Cu(I) salt.
Matrix-isolation and ab initio molecular orbital study of 2,2,2-trifluoroethylidene
O'Gara, John E.,Dailey, William P.
, p. 12016 - 12021 (2007/10/03)
Photolysis of 2,2,2-trifluorodiazoethane (2) in an argon matrix at 12 K generates triplet 2,2,2-trifluoroethylidene (1) in addition to a significant amount of trifluoroethylene (3) and small amounts of trifluoromethyldiazirine (4). These compounds were identified by IR and UV spectroscopy. Short-wavelength - photolysis of the carbene 1 converts it to trifluoroethylene, while slowly warming the matrix to 35 K results in dimerization to the isomeric hexafluorobut-2-enes. High-level ab initio calculations (QCISD(T)6-311(2D,2P)//MP2-FC/6-31G**) are reported for the singlet and triplet states of 2,2,2-trifluoroethylidene as well as for methylene and ethylidene. The calculated IR spectrum for triplet 2,2,2-trifluoroethylidene is in good agreement with the experimental one, but the UV/vis spectrum calculated using the CIS method does not match very well. The transition structures for the 1,2-fluorine atom rearrangement of the single and triplet states of carbene 1 to trifluoroethene were calculated at the QCISD(T)-FC/6-311(2D,2P)//MP2-FC/6-31G** level of theory. The calculated barrier for 1,2-fluorine atom migration in the singlet carbene, 21.5 kcal/mol, is less than suggested by recent experimental results (29 ± 4 kcal/ mol). The calculated barrier for the corresponding rearrangement in the triplet system was 51 kcal/mol. Previous reports concerning the energies and geometries of these calculated transition structures are shown to be in error.