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41.
In view of immense importance of silylenes and the fact that their properties undergo significant changes on substitution with halogens, here, we have used B3LYP/6-311++G** level of theory to access the effects of 1–4 halogens (X = F, Cl, Br, and I) on four unprecedented sets of cyclopentasilylene-2,4-dienes; with the following formulas: SiC4H3X ( 1 X ), SiC4H2X2 ( 2 X ), SiC4HX3 ( 3 X ), and SiC4X4 ( 4 X ). In going down from F to I, the singlet (s)-triplet (t) energy gap (ΔEs-t, a possible indication of stability), and band gap (ΔEH-L) decrease while nucleophilicity (N), chemical potential (μ), and proton affinity (PA) increase. The overall order of N, μ, and PA for each X is 2 X > 1 X > 3 X > 4 X . Precedence of 2 X over 1 X is attributed to the symmetric cross conjugation in the former. The highest and lowest N are shown by 2 I and 4 F . The trend of divalent angle () for each X is 4 X > 1 X > 3 X > 2 X . The results show that in going from electron withdrawing groups (EWGs) to electron donating groups (EDGs), the ΔEs-t and ΔEH-L decrease while N, μ, and PA increase. Also, rather high N of our scrutinized silylenes may suggest new promising ligands in organometallic chemistry. 相似文献
42.
The structure, chemical composition, and magnetic properties of electrochemically deposited nanocrystalline Co-Ni-Fe films
were investigated using a number of techniques. A high saturation magnetic induction up to B
s
= 21 kG was attained. An enhancement of the saturation magnetization compared to the ideal anticipated one was revealed,
which correlated with the nonlinear behavior of the structural phase composition and lattice parameters with the change of
the composition.
The text was submitted by the authors in English. 相似文献
43.
N. I. Golovina G. N. Nechiporenko G. G. Nemtsev G. P. Dolganova V. P. Roshchupkin D. B. Lempert G. B. Manelis 《Russian Journal of Applied Chemistry》2007,80(1):24-30
Methods for phase stabilization of ammonium nitrate were sought for in order to considerably expand the application area of this oxidizing agent in various-purpose self-combustible formulations, including that in a new generation of gas-generating formulations for automobile air bags. New methods for stabilization of ammonium nitrate were studied and, in particular, a search was made for organic compounds that can stabilize ammonium nitrate even at their low content. The mechanism of phase state stabilization of ammonium nitrate by compounds of this kind was examined. 相似文献
44.
Yu. V. Pokonova 《Russian Journal of Applied Chemistry》2007,80(12):2163-2164
Kinetic, sorption and selectivity properties of commercial adsorbents are improved by adding petroleum residues (tar asphaltene concentrates) 13% of whole mass. Obtained adsorbents can be used for selective extraction of nobel metals from multicomponent polymetallic solutions of heavy metals and fro sewages purification for removing arsenic. 相似文献
45.
G. Panina 《Central European Journal of Mathematics》2003,1(2):157-168
All 3-dimensional convex polytopes are known to be rigid. Still their Minkowski differences (virtual polytopes) can be flexible
with any finite freedom degree. We derive some sufficient rigidity conditions for virtual polytopes and present some examples
of flexible ones. For example, Bricard's first and second flexible octahedra can be supplied by the structure of a virtual
polytope. 相似文献
46.
47.
Palladium and molybdenum polycrystalline layers (clusters) have been deposited in a stainless steel UHV system onto a layer of alumina (Al2O3). This layer has been prepared by high temperature oxidation of an aluminium layer. The interaction of this system with nitrogen has been investigated at room temperature by an FEM technique. Under these conditions nitrogen spillover from molybdenum to palladium has been observed. 相似文献
48.
Stephen C. Littlechild 《The Journal of the Operational Research Society》1996,47(5):601-611
In this Blackett Lecture, Professor Littlechild, Director General of Electricity Supply in the UK's Office of Electricity Regulation, renews acquaintance with some models he has developed over the years, introduces some models he has recently met, and discusses models that it would seem to be worthwhile developing. He concludes that for all concerned in the electricity industry, success depends on ever improving decision-making, in which OR has a vital role. 相似文献
49.
V. D. Orlov Z. Kaluski N. P. Borob'eva E. Figas A. A. Tishchenko F. G. Yaremko 《Chemistry of Heterocyclic Compounds》1994,30(8):964-971
We have measured the PMR spectra of 5, 7-diaryl-1, 4-diazabicyclo[4. ].O]hept-4-enes. We have studied the structure of the 5-(4-nitrophenyl)-7-phenyl derivative by x-ray diffraction. We show that the six-membered heterocycle has the half-chair form. The 6-H and 7-H protons of the aziridine ring are trans, while the 7-aryl is exo relative to the six-membered ring. Introduction of substituents into the aromatic ring has practically no effect on the geometry of the bicycle.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 8, pp. 1117–1124, August, 1994.For Communication 11, see [1]. 相似文献
50.
M. S. Tashmukhamedov O. K Zakirova Sh. Ya. Mirzaakhmedov Sh. I. Salikhov I. T. Yakubov M. M. Rakhimov 《Chemistry of Natural Compounds》1994,30(1):97-100
Phospholipase A2 has been isolated fromthe venom of he Central Asian green toad Bufo viridis in the electroophoretically homogeneous state for the first time by biospecific absorption chromatography. The affinity sorbent used was Affi-Gel 10 with covalently bound phosphatidylserine (PDS). The chemical inertness of the bound PDS to the hydrolytic action of phospholipase A2 and its high tendency to form biospecific complexes have been shown. Some biochemical characteristics of the enzyme isolated have been studied: influence of the pH and of the Ca2+ concentration and dependence of activity on substrate concentration.A. S. Sadykov Institute of Bioorganic Chemistry, Academy of Sciences of the Republic of Uzbekistan, Tashkent, fax 627071. Tashkent State University, fax 462472. Translated from Khimiya Prirodnykh Soedinenii, No. 1, pp. 105–109, January–February, 1994. 相似文献