Polytetrafluoroethylene and metal structure convective-flow CO laser

A convective flow CO laser composed of polytetrafluoroethylene discharge tubes, nickel–chromium steel components, a cupric heat exchanger and other components is described. Operating in liquid nitrogen condition, output power of 60 W has been obtained from a non-selective cavity.     

Mechanical mixtures of Me (Ni, Pd) Ce oxides and silica-supported heteropolyacids: Role and optimal concentration of each active species in n-hexane isomerization

Catalytic properties of silica-supported heteropolyacids (HPA) in a mechanical mixture with reduced Me-Ce oxides (Me = Ni, Pd) in n-hexane isomerization are studied. The role of each component of the mixed oxides (Ce and, typically, Ni and Pd) and their optimum content has been illuminated: cerium is not only beneficial for eliminating or preventing coke deposition but is also effective for maintaining the Keggin structure of the highly-organized HPA during the reaction and probably allows a better dispersion of the second metal species. Nickel and palladium, present as Ni⁰ and Pd⁰, reinforce the activation of the alkane, which is difficult to obtain by means of a direct attack by an acid, and, thus, enhance noticeably the activity of the catalyst. The best mechanical mixtures are obtained with 30–70 wt % NiCeO-HPW/SiO₂ and 50–50 wt % Pd_0.1CeO-HPW/SiO₂. These mixtures have the highest efficiency for a Ni/(Ni + W) atomic ratio of 0.66 and a Pd/(Pd + W) ratio of 0.40, respectively. Finally, the conversion of n-hexane is in the order HPW > HSiW > HBW, which seems to be consistent with the order of their acid strength as per the literature, but the isomerization selectivity appears to be slightly higher on HSiW. Published in Russian in Kinetika i Kataliz, 2006, Vol. 47, No. 1, pp. 24–28. The text was submitted by the authors in English.     

共轴均匀带电薄圆盘间的相互作用力

本文利用静电场的高斯定律和环路定律巧妙地求出了均匀带电圆盘在空间任一点所产生的电场 ,进而计算出了共轴均匀带电薄圆盘之间的相互作用力     

Effective potential for local composite operators and the problem of factorization of multi-field condensates

A new formulation of effective potential for local composite operators is given. The two-fermion condensate \(\langle \bar \Psi \Psi \rangle \) and four-fermion condensate \(\langle \bar \Psi \Psi \bar \Psi \Psi \rangle \) are calculated simultaneously in the Gross-Neveu model up to next-to-the-leading order in 1/N expansion. It is shown that factorization \(\langle \bar \Psi \Psi \bar \Psi \Psi \rangle = C_1 \langle \bar \Psi \Psi \rangle ^2 \) holds only in theN→∞ limit and the non-factorized part of \(\langle \bar \Psi \Psi \bar \Psi \Psi \rangle \) contributed by the order-1/N terms is comparable to \(C_1 \langle \bar \Psi \Psi \rangle ^2 \) when takingN=3.     

二(三甲硅基环戊二烯基)二氯合锆的合成和晶体结构

在 THF中 ,通过三甲硅基环戊二烯基锂与四氯化锆反应合成了标题化合物 ,经元素分析 ,IR和 1 H NMR谱表征了其结构 ,并用 X-射线衍射测定了晶体结构 ,该晶体属于三斜晶系 ,空间群为 P1 ,晶体学参数 :a=0 .6787(6) ,b=1 .2 92 4 (2 ) ,c=1 .30 34(2 ) nm,α=67.83(1 ) ,β=82 .50 (3) ,γ=75.64 (3)°,V=1 .0 2 5nm3 ,Z=2 ,Dx=1 .41 5 g· cm-3 ,μ=8.989cm-1 ,F (0 0 0 ) =448,R=0 .0 32。质谱研究表明 ,化合物在质谱过程中发生二聚 C*p2 ZrClZr C*P2Cl(C*P=C5H4Si Me3 )。     

What are the pKa values of C-H bonds in aromatic heterocyclic compounds in DMSO?

A first-principle method has been successfully developed for the prediction of pK_a values of aromatic heterocyclic compounds in DMSO solution with a precision of 1.1 pK_a units. Comparison of theoretical results and experimental data (where available) also shows excellent consistency. Armed with this useful approach, the pK_a values for a series of aromatic heterocycles were calculated in DMSO. Moreover, a discussion of the relationships between hydrogen acidities and molecular structures is conducted for the first time (determinants of C-H acidities, substituent effects, and some practical use of dehydrometalation). These statistics could be useful for synthetic chemists to design proper routes for introduction of aromatic heterocyclic moiety, especially when dehydrometalation reactions are used.     

Theoretical study of the local structure and Raman spectra of CaO-SiO2 binary melts

A procedure for the Raman spectra calculation of vitreous and molten silicates was presented in this paper. It includes molecular dynamics MD simulation for the generation of equilibrium configurations, Wilson's GF matrix method for the calculations of eigenfrequencies and corresponding vectors, electro-optical parameters method (EOPM) for the Raman intensity calculations, and the bond polarizability model (BPM) for the determination of polarizability and polarizability derivative. One of the most important characteristics of this procedure is the achievement of the partial Raman spectra of five tetrahedral units, as well as the total spectral envelope. In this paper, the calculation was carried out for the vitreous and molten calcium silicates with different compositions and at various temperatures. It is worthwhile to note that the calculation is based on statistical configurations distribution in the space and so it is not needed to artificially adjust the full width at half maximum (FWHM) of spectra. It was also tested through the good agreement of the calculated spectra with the experimental, including some regularity of spectral properties. According to the calculation, the symmetrical stretching of whole tetrahedral units, to which the stretching of Si-O(nb) bond gives the main contribution to intensity, is proven to be the dominance in the high-frequency range (800-1200 cm(-1)) and the symmetrical bending of Si-O(b)-Si, to which the stretching of Si-O(b) bond exhibits the main contribution, is the dominance in the medium-frequency range (400-700 cm(-1)). As the first theoretical results, the Raman scattering coefficient of each Q(i) was found little change along with the variation of composition and temperature.     

Reconstruction of the water-oxidizing complex in manganese-depleted Photosystem II using synthetic manganese complexes

The efficiency of a trinuclear and two binuclear manganese complexes in reconstituting electron transport and O(2) evolution activity in Mn-depleted Photosystem II preparations is analyzed. The trinuclear Mn-complex is more efficient than two binuclear Mn-complexes in restoring oxygen evolution, but it is less effective as an electron donor than binuclear Mn-complexes. It is inferred from our results that recovery of electron transport and O(2) evolution with polynuclear Mn-complexes is affected with different factors. Moreover, the trinuclear Mn-complex is extremely sensitive to the addition of CaCl(2). It is suggested that there is an interaction between Ca(2+) and carboxyl within the trinuclear Mn-complex during photoactivation and this interaction benefits the ligation of Mn atom to the apo-WOC and form an active WOC. Binuclear Mn(III)Mn(III) complex shows slightly higher efficiency than binuclear Mn(III)Mn(IV) complex in restoration of O(2) evolution activity. The efficiency of three Mn-complexes in the reconstitution of WOC is in an order: trinuclear Mn(3)(III)>binuclear Mn(III)Mn(III)>binuclear Mn(III)Mn(IV).