HF, reaction

XeFg +H2 O - XeOF4 + 2 HF Reaction with excess water produces xenon trioxide ... 

Zirconacyclopentanes can readily undergo skeletal rearrangements, exemplified by those shown in Scheme 41. Although the process involving Zr reveals only the final zirconacycle, examination by NMR spectroscopy of the corresponding Hf reaction shows the formation and decay of the 2,5- and 2,4-dimethylhafnacyclopentanes. All of the three hafnacycles as well as the zirconacyclic product are >98% dl.229... 

If one is interested in changes of the solute molecule, or if the structure of the surrounding solvent can be neglected, it may be sufficient to regard the solvent as a homogeneous dielectric medium, as was done in the older continuum theories, and to perform a quantum mechanical calculation on the molecule with a modified Hamiltonian which accounts for the influence of the solvent as has been done by Hylton et al. 18 5>. Similarly Yamabe et al. 186> substituted dipole-moment operators for the solvent in their perturbational treatment of solvent effects on the activation energy in the NH3 + HF reaction. 

TaFs > SbFs > BF3 > TiF4 > HfF4 HF Reactions/rates parameter selectivity 52... 

The MP2//HF reaction path energy profile calculated with the procedures described above is shown in Fig.2. The barrier height is 6.4 kcal/mol (including... 

R. Sayos, J. Hernando, J. Flijazo, M. Gonzalez, An analytical potential energy surface of the HFCL(2A ) system based on ab initio calculations. Variational transition state theory study of the H+C1F F+HC1,C1+HF, and F+HCl Cl+HF reactions and their isotope variants, Phys. Chem. Chem. Phys. 1 (1999) 947. 

The differences between surface fluorination, as obtained by PEF, and bulk fluorination, as obtained by F2-gas [experimental conditions 10 bar F2 + 0.2 bar HF reaction temperature 25°C reaction duration up to 3 d] are clearly evidenced in Fig. 22 and in Table 6. The latter route gives rise to a bulk stage-1 GIC of C3 5F formulation and a repeat distance Ic 0.55 nm [100], In both cases, the surface C-to-F ratio is more or less similar 3.1 and 2.8 respectively. However, in the case of surface fluorination, F-intercalated contribution is almost absent, whereas it... 

Plutonium Tetrafluoride Production and Reduction. In PUF4 production/reduction, plutonia is fed first to an HF reaction furnace where the PUO2 is converted to PUF4. The PUF4 is reacted with calcium metal in the presence of iodine to form plutonium metal, CaF2, and Calcium and iodine react first to... 

A second aspect of electronic structure issues was the estimation of electron correlation effects. As discussed further within, the 0 K HF reaction free energy calculations for several of the cases examined, when augmented by zero point energy and thermal effects, give reaction free energies of the acid ionization that are small... 

A. Lagana, X. Gimenez, E. Garcia, and O. Gervasi, Chem. Phys. Lett., 176, 280 (1991). Parallel Calculations of Approximate 3D Quantum Cross Sections The Li 4- HF Reaction. 

The reaction of 1,7-octadiene with Cp2Zr-phosphine complexes generated by treatment of (Tp2Zr(R)H with 2 equiv. of phosphine was briefly reported to give a 90% yield of the expected zirconabicycle (35 equation 31) as a 1 1 stereoisomeric mixture. The nonstereoselectivity is rafter disappointing, but this aspect may need to be reexamined in the light of more recent results in this area. No paper on the corresponding Hf reaction appears to have been published. 

Fluorodecarboxylation of arylchloroformates in the vapour phase to give fluoro-benzene and its analogues can be achieved in high yield using anhydrous HF. Reaction occurs quickly at 300-400 °C using chromium and aluminium oxyfluoride. The effects of micelles on the decarboxylation of/ -aminosalicyhc acid (224) have been examined. ... 

This passivating surface complex can be reduced either by electrons (reaction (59)) or by Xj (reaction (60)) and subsequently removed by HF (reaction (61)) ... 

Figure 2 Relative energy of the species in the Li + HF reaction according to three different methods of calculation.

Figure. 9 Excitation function for the F + H2 (v) H + HF reaction at various vibrational excitations v obtained on the 6-SEC potential surface...

Nonthermal Hydrogen Abstraction Reactions. Energetic F-to-HF reactions predominate in experiments with hydrogen-containing substances (Reactions 16 and 17) (14,15,29,31,34,35,40,45). At gas-phase... 

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