The crystal structure of Ca6Eu2Na2(PO4)6F2 has been determined by single crystal X-ray diffraction. The unit cell constants are and the space group is . The structure was refined by normal full matrix least squares techniques. The final value of the refinement indicator is R = 0.065, based on 419 reflections.The structure of Ca6Eu2Na2(PO4)6F2 contains disordered cations in both the triangle and column positions. The occupation of the six triangle sites is and and of the four column sites , and . 相似文献
The stereospecific syntheses of the four isomers of 6-formyl-5,6-epoxy hexanoic acid methyl ester , , and from Z-deoxy-D-ribose have allowed the preparation of methyl esters of LTA4, , and its three unnatural isomers. 相似文献
The reactions (I) Hg2Cl2(s) + Br2(g) and (II) HgCl2(s) + HgBr2(s) have been investigated by an X-ray method. Both the reactions yield two forms of the mixed halide HgClBr, designated as α-HgClBr and β-HgClBr. The cell parameters of the two are as follows:α-HgClBr: , , , z = 4, ? = 5.91 g/cm3. The powder pattern and cell parameters are similar to that of HgCl2. Therefore it is probable that the chlorine atoms, in the linear halogenHghalogen molecules of HgCl2 structure have been replaced by bromines, and since the radius of the bromine atom is larger than that of chlorine, the lattice is larger in this case.β-HgClBr: , , , z = 4, ? = 5.40. These parameters are the same as those reported in the literature for β-Hg(ClBr)2, and its X-ray powder pattern is similar to HgCl2. Therefore this phase also has linear halogenHghalogen molecules but the distribution of Cl and Br atoms is perhaps random.Heating the products (I) and (II) up to the melting point increases the amount of α phase and decreases the β phase, whereas crystallization increases the β phase. DTA study has supported the X-ray findings. 相似文献
Laser excitation of equilibrium vapor mixtures ErCl3(s)-ACl3(g) (A = Al, Ga, In) at 475–1100 K gives rise both to resonance fluorescence from the f → f Er3+ transitions of the Er-Cl-A vapor complexes, and to Raman scattering due to the vibrational modes of the ACl3 vapor. The laser-induced fluorescence from the 4F, 4S and 2H states has been investigated at different temperatures and excitation. 相似文献
Isolation and structural elucidation of two new acetylenic polyenes, -laurencenyne and -neolaurencenyne from the marine red alga were carried out, the former compound very recently being proposed to be a biosynthetic precursor of the C15 halogenated cyclic ethers, and . 相似文献
According to X-ray crystal structure analyses “cis-benzenetrisimine” () and “cis-benzenetrioxide” () act as tridentate ligands in their 2:1- and 4:1-complexes (Co(C6H9N3)2(NO3)3) and (Ba(C6H6O3)4(ClO4)2), resp. The latter is the rare example of an organic complex with the (approximate) T-symmetry. 相似文献
Good -stereoselectivity is observed in the epoxidation of allylic silyl ethers with CF3CO3H, indicating a new type of hydrogen-bonded transition state. 相似文献
N-Ethoxycarbonylthiazolium chloride generated from 1,3-thiazole and ethyl chloroformate, treated with lithium carbanions of esters, Grignard reagents, silyl enol ethers and esters, undergo nucleophilic addition at C2 affording the corresponding 2-substituted N-ethoxycarbonylthiazolines. 相似文献
The crystal structures of the apatites Ba10(PO4)6F2(I), Ba6La2Na2(PO4)6F2(II) and Ba4Nd3Na3(PO4)6F2 (III) have been determined by single-crystal X-ray diffraction. All three compounds crystallize in a hexagonal apatite-like structure. The unit cells and space groups are: I, a = 10.153(2), c = 7.733(1)Å, Å, ; III, a = 9.786(2), c = 7.281(1)Å, . The structures were refined by normal full-matrix crystallographic least squares techniques. The final values of the refinement indicators Rw and R are: I, Rw = 0.026, R = 0.027, 613 observed reflections; II, Rw = 0.081, R = 0.074, 579 observed reflections; III, Rw = 0.062, R = 0.044, 1262 observed reflections.In I, the Ba(1) atoms located in columns on threefold axes, are coordinated to nine oxygen atoms; the Ba(2) sites form triangles about the F site and are coordinated to six oxygen atoms and one fluoride ion. The fluoride ions are statistically displaced ~0.25 Å from the Ba(2) triangles. This displacement of the F ions is analogous to the displacement of OH ion in Ca10(PO4)6(OH)2.The structures of II and III contain disordered cations. In II there is disorder between La and Na in the column cation sites as well as triangle sites. In III, Nd and Na ions are ordered in the column sites, but there is disorder among Ba and the remaining Nd and Na ions in the triangle sites to give an average site population of . The coordination of the rare earth ions and Na ions in the ordered column sites are nine and six oxygens, respectively, in accord with the greater charge of the rare earth ions as compared with Na. The F ions in both II and III suffer from considerable disorder in position, and their locations are not precisely known. 相似文献
Crystal structures for the fluorite-related phases CaHf4O9) and Ca6Hf19O44 () have been determined from X-ray powder diffraction data. qf1 is monoclinic, , with a = 17.698 Å, b = 14.500Å, c = 12.021 Å, β = 119.47° and Z = 16. qf2 is rhombohedral, , with a = 12.058 Å, α = 98.31° and Z = 2.Both phases are superstructures derived from the defect fluorite structure by ordering of the cations and of the anion vacancies. The ordering is such that the calcium ions are always 8-coordinated by oxygen ions, while the hafnium ions may be 6-, 7-, or 8-coordinated. The closest approach of anion vacancies is a fluorite subcell vector, and in each structure vacancies with this separation form strings. 相似文献
The production of I(2P) in the photolysis of CH2I2 has been studied optoacoustically at excitation wavelengths between 365.5 and 247.5 nm. Bands found at 32200 and 47000 cm?1 correlate with I(2P) whilst those at 34700 and 40100 cm?1, which correlate with I(2P), give final 2P/2P ratios of 1.75 and 1.1, respectively, after curve crossing. 相似文献
In CFCl3, aziridines react with F2(6 %/N2, 20°C), COF2 (20 %/N2, 40°C) and CF3OF [1] (20 %/N2, 40°C).Substitution products are obtained : l-(aziridine)carbonyl fluorides and l-Fluoroaziridines In (Et)2O, aziridines react with COF2 (20 %/N2, 10°C) and we have the carbonyl fluorides . Products IV can be thermally decomposed into β fluoro isocyanates.In CFCl3, N substituted aziridines react with F2(6%/N2, 20°C) and with CF3OF [2] (20%/N2, 40°C). No reaction is observed with COF2in our conditions (5% to 25%/N2, 80°C to + 40°C).Addition products are obtained : N Fluoro amines β fluorinated , N Fluoro and NN difluoro amines β trifluoro methoxylated and .with R = SO2Ø, COØNO2, Cl. 相似文献
Optical absorption and emission spectra are reported for single crystals of the cubic elpasolite Cs2NaSmCl6. The variable temperature spectra obtained at high resolution are assigned using energies and relative intensities. Transitions from the ground level, 6H to cystal fi levels of 6H-, 6F-, 4G-, 4F,, 4I, and 6P, are located and characterized. Intensity calculations are reported for magnetic dipole allowed transitions. The dominance of vibronic intensity in 6H→6F - and 6P, transitions is accounted for qualitatively through the ligand polarization model involving quadrupole metal (Sm3+)-ligand (Cl?) interaction mechanisms. The Eu″(6H)→E′(6H) Eu′(6F) no-phonon transition is postulated to be pure electric quadrupole allowed. The ground state magnetic moment is determined to be very small from magnetic circular dichroism (MCD) spectra.This study has led to the assignment of nearly all of the crystal field levels in the visible and IR region for Cs2NaSmCl6. A total of 27 such levels were identified, 17 from no-phonon transitions and the rest from vibronic transitions. The magnetic dipole intensity calculated using intermediate coupling Oh wavefunctions along with a crystal field analysis of the splitting pattern was used in the assignment of the levels. Vibronic bands were observed for all transitions and their vibrational symmetries were tentatively assigned. MCD data were used to determine the magnet moment of the ground state. 相似文献
The compound Th0.25 NbO3 melts congruently at 1390°C. Single crystals obtained by slow cooling from the melt are transparent and show uniaxial optical properties. A single-crystal X-ray analysis confirms the tetragonal cell found by Kovba and Trunov from a powder data and gives a = 3.90 Å and c = 7.85 Å. No systematic absence of the hkl reflections is observed on precession films. The relative intensities of the main reflections are characteristic of a perovskite-like arrangement ABO3 whose large dodecahedral A sites are only partly occupied. Several domains have been found in the perovskite-type solid solution (1 ? x) Th0.25NbO3-x NaNbO3. For 0 ? x ? 0.5 the phases have a tetragonal cell with and as in pure Th0.25 NbO3. When 0.6 ? x ? 0.8 the corresponding phases crystallize with a small cubic cell (Å), while phases with 0.9 ? x ? 1 have an orthorhombic cell (). 相似文献
Reaction of the 16 electron monomer [Co(η5-C5H5)(S2C2{CN}2)] with various tertiary phosphines and phosphites (L) gives readily the 18 electron monomers [Co(η5-C5H5)(S2C2{CN}2)L] which for L = P(OR)3 have J(C55) ca. 6 Hz but J(C55) = 0 for L = PR3. 相似文献
Crystal structures of the ordered phases of V3S4 and V5S8 were refined with single crystal data. Both are monoclinic. Chemical compositions, space groups and lattice constants are as follows: VS1.47, (No. 12), a = 5.831(1), b = 3.267(1), c = 11.317(2)Å, β = 91.78(1)° and VS1.64, (No. 12), a = 11.396(11), b = 6.645(7), c = 11.293(4), Å, β = 91.45(6)°. In both structures, short metal-metal bonds were found between the layers as well as within them. In comparison with the structure of Fe7S8, the stability of NiAs-type structure was discussed based on the detailed metal-sulfur distances. 相似文献
The polarized Raman spectra of small single crystals of Tl3Cr(SO4)3 have been recorded using the Raman microprobe technique in the temperature range 295–660 K. The behavior of the external modes is analyzed on polycrystalline samples with conventional Raman spectrometer from 100 K to the decompositon temperature 660 K. Analysis of the spectra, in connection with dielectric measurements and X-ray data show that Tl3Cr(SO4)3 undergoes the following space group phase sequence in accordance with the point group relationship 相似文献