7664-39-3Relevant articles and documents
A structural, mechanistic, and kinetic study of the dehydrofluorination of 1,1,1,3,3-pentafluoropropane in the absence of catalyst
Jia, Xiaoqing,Lu, Fengniu,Qing, Feiyao,Quan, Hengdao,Ren, Yangyang
, (2021/07/31)
The catalyst-free dehydrofluorination of 1,1,1,3,3-pentafluoropropane (HFC-245fa) was investigated both experimentally and theoretically to elucidate the mechanism and kinetics of the reaction. The experimental results demonstrated easier generation of E-1,3,3,3-tetrafluoropropene (HFO-1234ze(E)) than HFO-1234ze(Z) under the same reaction conditions within a temperature range of 500–700 °C. When analyzing the geometry, energetics, and kinetic modeling of the reaction at the B3LYP/6?311++G (d,p) level of theory, it was found that the thermodynamic stability of HFO-1234ze(E) is relatively higher than its isomer (HFO-1234ze(Z). Besides, the rate constants of HFO-1234ze(E) were always larger than those of HFO-1234ze(Z) at 400–2000 K, which agreed well with the higher selectivity of HFO-1234ze(E) in the synthetic experiment results. Our theoretical demonstration provides a reference to investigate the mechanism and kinetics of other analogous reactions.
Biochemical Characterization, Phytotoxic Effect and Antimicrobial Activity against Some Phytopathogens of New Gemifloxacin Schiff Base Metal Complexes
Mohamed, Amira A.,Elshafie, Hazem S.,Sadeek, Sadeek A.,Camele, Ippolito
, (2021/07/26)
String of Fe(III), Cu(II), Zn(II) and Zr(IV) complexes were synthesized with tetradentateamino Schiff base ligand derived by condensation of ethylene diamine with gemifloxacin. The novel Schiff base (4E,4′E)-4,4′-(ethane-1,2-diyldiazanylylidene)bis{7-[(4Z
Stabilization of a mixed iron vanadium based hexagonal tungsten bronze hydroxyfluoride HTB-(Fe0.55V0.45)F2.67(OH)0.33as a positive electrode for lithium-ion batteries
Grenèche, Jean-Marc,Hémon-Ribaud, Annie,Leblanc, Marc,Lemoine, Kévin,Lhoste, Jér?me,Maisonneuve, Vincent,Moury, Romain,Tarascon, Jean-Marie
, p. 8186 - 8193 (2020/07/10)
In our search for novel insertion compounds for Li-based batteries, we have identified a new mixed iron vanadium based Hexagonal Tungsten Bronze (HTB) type phase. Its synthesis involves two steps which consist first of preparing mixed metal hydrated fluoride Fe1.64V1.36F8(H2O)2 by a microwave assisted thermal process, followed by thermal treatment under air to obtain metastable HTB-(Fe0.55V0.45)F2.67(OH)0.33 hydroxyfluoride. 57Fe M?ssbauer spectrometry demonstrates the presence of oxidation states Fe2+ and Fe3+ in Fe1.64V1.36F8(H2O)2 as opposed to only Fe3+ in HTB-(Fe0.55V0.47)F2.67(OH)0.33. Moreover, the M?ssbauer spectra recorded at 77 K reveal that none of the compounds shows magnetic ordering owing to the presence of V3+ distributed over the crystallographic sites of Fe3+. Complementary X-ray spectroscopy and Rietveld refinement further confirm the successful synthesis of HTB-(Fe0.55V0.45)F2.67(OH)0.33. Electrochemically, the new HTB-(Fe0.55V0.45)F2.67(OH)0.33 shows a first discharge capacity of 181 mA h g-1 with 67percent of this capacity remaining upon cycling. Unlike HTB-FeF2.66(OH)0.34, the structure remains stable after the first discharge confirming the positive effect of vanadium in the HTB network. This journal is