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1.
Crystalline aluminum trihydroxides Al(OH)3 (gibbsite, baverite, and nordstrandite) can serve as layered intercalation matrices in which metal salts are arranged in
a specific way. Small cations (lithium, magnesium, and transition metals) lie in the octahedral voids of aluminum hydroxide
layers, and water molecules are located between the layers. This localization of small cations gives rise to the molecular
sieve effect, where alkaline and alkaline earth cations (Na+, K+, Ca2+, etc.), which are large relative to the octahedral voids, are not intercalated into aluminum trihydroxides. In the first
step of lithium salt intercalation, the cations, the anions, and the water molecules are incorporated into the interlayer
space of aluminum hydroxide with subsequent transition of lithium into the voids of the layer.
Translated fromZhurnal Strukturnoi Khimii, Vol. 40, No. 5, pp. 832–848, September-October, 1999. 相似文献
2.
A. V. Nemukhin V. V. Togonidze V. M. Kovba R. Yu. Orlov 《Journal of Structural Chemistry》1998,39(3):372-375
Equilibrium geometrical configurations and harmonic vibration frequencies are determined by ab initio quantum chemical methods
using the relativistic effective potential for gold in AuSH, Au(SH)
2
−
, Au(SH)(H2S), AuSH·(H2O)m, and Au(SH)
2
−
·(H2O)4 molecular systems. Solvation shifts in the vibrational spectra of the gold thiocomplexes are estimated by comparing the data
between anhydrous and aqueous complexes.
M. V. Lomonosov Moscow State University. Translated fromZhurnal Strukturnoi Khimii, Vol. 39, No. 3, pp. 460–463, May–June, 1998.
This work was supported by RFFR grant No. 95-03-08205. 相似文献
3.
O. V. Sizova A. I. Panin V. I. Baranovskii N. V. Ivanova 《Journal of Structural Chemistry》1996,37(2):171-180
Semiempirical INDO-E/S calculations of [RuX6]q (X=NH3, q=+2, +3; X=CN−, q=−4, −3) complexes are performed to demonstrate that the MO relaxation in the electronically excited state can be taken
into account by introducing certain double excitations into the configuration interaction matrix; the principles of selection
of the excitations are discussed. The calculation results are compared with the experimental electronic absorption spectra.
St. Petersburg State University. Translated fromZhurnal Struktumoi Khimii, Vol. 37, No. 2, pp. 195–205, March–April, 1996.
Translated by I. Izvekova 相似文献
4.
V. P. Isupov S. P. Gabuda S. G. Kozlova L. É. Chupakhina 《Journal of Structural Chemistry》1998,39(3):362-366
The structure of intercalation complexes of aluminum hydroxide with lithium salts is investigated by X-ray diffractometry
and by21Al,7Li, and1H NMR. The lithium ions occupy vacant positions in the octahedral voids of aluminum hydroxide, and all atoms of gibbsite change
localization. Parameters of the27Al and7Li quadrupole and1H dipole-dipole interaction tensors in anhydrous and aqueous intercalates of gibbsite with lithium salts are determined. A
mechanism is suggested for the interaction of gibbsite with aqueous solutions of lithium salts.
Institute of Solid State Chemistry and Mechanochemistry, Siberian Branch, Russian Academy of Sciences (Novosibirsk). Institute
of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences (Novosibirsk). Translated fromZhurnal Strukturnoi Khimii, Vol. 39, No. 3, pp. 448–452, May–June, 1998.
This work was supported by RFFR grant No. 96-03-33069. 相似文献
5.
DingCong Wang 《中国科学B辑(英文版)》2009,52(12):2114-2124
A new nano-assembly approach has been proposed for the preparation of macropore volume mesoporous aluminum oxide supports.
Secondary nano-assembly and a frame structure mechanism for large pore volume mesoporous supports have been proposed. In a
primary nano-assembly supersoluble micelle, aluminum hydroxide nanoparticles were precipitated in situ in surfactants with a volume balance (VB) less than 1, followed by secondary nano-assembly in linear and cylindrical shapes. The secondary nano-assembly of cylindrical
aluminum hydroxides was calcined to form nano cylindrical aluminum oxides. For the formation of macropore volume mesoporous
supports, we utilized a frame structure mechanism of mesoporous support, in which the exterior surface of the carrier may
not be continuous. This macropore volume support has been used for the hydrotreatment of a residual oil catalyst, which possesses
the following physical characteristics: pore volume 1.8–2.7 mL·g−1, specific surface area 180–429 m2·g−1, average pore diameter 17–57 nm, average pore diameter more than 10 nm (81%–94%), porosity 87%–93%, and crush strength 7.7–25
N·mm−1. 相似文献
6.
A. S. Rozenberg E. I. Aleksandrova G. I. Dzhardimalieva A. N. Titkov A. D. Pomogailo 《Russian Chemical Bulletin》1993,42(10):1666-1672
The thermal decomposition of iron (III) acrylate, [Fe3O(CH2=CHCOO)6 · 3H2O]OH (FeAcr), a monomer with a complex cluster cation, has been studied at 200–370 °C. Thermal transformations of FeAcr occur
in two temperature regions. The rates of gas evolution in the low temperature region (200–300 °C) and the high temperature
region (300–370 °C) are described by first-order equations withk=4.2 · 1021exp[−59000/(RT)] s−1 andk=1.3 · 106exp[−30500/(RT)] s−1, respectively. A study of the qualitative and quantitative composition of the products of FeAcr thermolysis was carried out.
The thermal transformation of FeAcr is a complex process of dehydration, degradation, and polymerization in the solid phase
followed by decarboxylation of the metal-carboxyl groups of the polymer.
for part 33 see Ref. 1.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 10, pp. 1743–1750, October, 1993. 相似文献
7.
The composition and structure of neutral and acid trialkyl(C8-C10)methylammonium acetates in CCl4+HAc solutions formed by the reaction R3CH3N+Ac−+nHAc⇔R3CH3N+(Ac·nAc)− are investigated by IR spectroscopy. As the molar ratio HAc/R3CH3N+Ac− increases in solutions, complex anions Ac·nAc− (I) with n=1, 2, 3, 4 are formed in sequence. The curves of formation of anions with n=0, 1, 2 are plotted. One terminal
COO group of anions I is bonded to (“blocked” by) the R3CH3N+ cation, and another group sequentially adds H-bonded HAc molecules as the concentration of HAc in solutions increases. The
sequence of IR spectral changes in the series of anions I with n=0, 1, 2, 3, 4 is discussed.
Institute of Catalysis, Siberian Branch, Russian Academy of Sciences. Novosibirsk State University. Translated fromZhurnal Strukturnoi Khimii, Vol. 37, No. 2, pp. 310–318, March–April, 1996.
Translated by L. Smolina 相似文献
8.
V. P. Isupov L. É. Chupakhina R. P. Mitrofanova K. A. Tarasov 《Journal of Structural Chemistry》1998,39(3):367-371
Routes for synthesizing intercalation compounds of aluminum hydroxide [MxAly(OH)z]n X · pH2O (M=Li, Mg, Ni, Co, …) are suggested, and application of these schemes to syntheses of nanoscale systems is examined. It
is shown that nanoscale systems varying in composition, structure, and morphology may be obtained according to the nature
of anion X and reaction conditions.
Institute of Solid State Chemistry and Mechanochemistry, Siberian Branch, Russian Academy of Sciences (Novosibirsk). Translated
fromZhurnal Strukturnoi Khimii, Vol. 39, No. 3, pp. 453–459, May–June, 1998. 相似文献
9.
N. V. Platonova Yu. O. Punin V. D. Franke E. N. Kotelnikova 《Journal of Structural Chemistry》1994,35(5):634-641
In the ammonium chloride crystallization region of the NH4Cl−CuCl2−H2O−CH3ON system, cocrystallization of the impurity with the main substance occurs by epitaxial adsorption of complexes of varying
composition. In NH4Cl crystals, the Cu2+ impurity forms oriented interlayers (ingrowths) simultaneously at the macro-and microlevels. The ratio between the two trapping
forms depends on the growth conditions.
St. Petersburg State University. Translated fromZhurnal Strukturnoi Khimii, Vol. 35, No. 5, pp. 70–78, September–October, 1994.
Translated by L. Smolima 相似文献
10.
S. N. Tandura N. A. Troitskii S. P. Kolesnikov K. S. Nosov M. P. Egorov 《Russian Chemical Bulletin》1999,48(1):214-217
The complete assignment of the signals in the13C NMR spectra of 2,3,4,5-tetraphenyl-1-R1,R2-1-silacyclopenta-2,4-dienes (R1=R2=H, Me) and of the dianion of lithium salt [(PhC)4Si]2−·2Li+ was carried out by 2D NMR spectroscopy.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 1, pp. 216–218, January, 1999. 相似文献
11.
Correlation times for≡SiOC·X2 radicals grafted onto activated silica surface were estimated to be 1.3·10−8s (X=H) and 2.5·10−8s (X=Me) at room temperature.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 4, pp. 613–616, April, 1998. 相似文献
12.
D. A. Gordon I. I. Chuev S. M. Aldoshin A. I. Mikhailov 《Russian Chemical Bulletin》1999,48(11):2055-2059
Low-temperature (77 K) γ- and UV irradiation of substitutedN′-furfurylidenebenzhydrazides produces paramagnetic particles in radiation-chemical yields of (0.05–0.5)/100 eV and quantum
yields of 4·10−5–10−3, respectively. ESR study showed that hydrazyl radicals and HC·O and N·O2 are the main products of radiolysis and photolysis, and the latter decay upon heating of the sample to 190 K, whereas the
hydrazyl radicals survive up to 423 K. Further heating results in thermodestruction of the hydrazides, and the ESR spectrum
exhibits only a singlet with splitting at 1 mT, which is characteristic of polyconjugated compounds.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 11, pp. 2078–2082, November, 1999. 相似文献
13.
A. V. Levanov A. R. Gromov E. E. Antipenko V. V. Lunin 《Russian Chemical Bulletin》2000,49(4):669-673
The yields of hydrogen atoms, oxygen atoms and molecules, and hydroxyl radicals after a microwave discharge in the mixture
of CO2 and H2 were measured by ESR spectroscopy in a flow-type system. A mathematical model of the kinetics of chemical reactions downstream
the microwave discharge was devised. The concentrations of particles that cannot be detected under our experimental conditions
were estimated.
Experimental values of the concentration sensitivity for an RE-1306 ESR spectrometer are as follows: for a pressure of 1 Torr
and optimized detection conditions, H., 1011 cm−3; O., 3·1010 cm−3; OH., 1010 cm−3; O2, 3·1013 cm−3 (Ref. 7); for a pressure of 2 Torr, H., 5·1012 cm−3; O., 2·1012 cm−3; OH., 2.5·1011 cm−3; O2, 7.5·1014 cm−3 8
Translated fromIzvestiya Akademii Nauk, Seriya Khimicheskaya, No. 4, pp. 665–669, April, 2000. 相似文献
14.
O. V. Sizova V. I. Baranovskii N. V. Ivanova A. I. Panin 《Journal of Structural Chemistry》1996,37(4):525-536
The electronic spectra of the [Ru(NH3)5pz]2+, [Ru(NH3)5pz]3+, and [Ru(CN)5pz]3− complexes are calculated by the CI INDO method. The effect of solvation on the spectra is considered in a point charge approximation
and in terms of the parametric model of a charged sphere enveloping the metal fragment. Interrelation of these approaches
is discussed. Data on the molecular electrostatic potentials created by the complexes are presented to substantiate the models.
St. Petersburg State University. Translated fromZhurnal Strukturnoi Khimii, Vol. 37, No. 4, pp. 603–618, July–August, 1996.
Translated by I. Izvekova 相似文献
15.
I. I. Tverdokhlebova I. A. Ronova V. M. Men'shov N. V. Pertsova 《Russian Chemical Bulletin》1998,47(12):2348-2351
Molecular-weight parameters of new silane homo- and copolymers were analyzed. For all polymers, theM
w values are close ((6.0–8.6)·104), the curves of molecular weight distribution are unimodal, andM
w/M
n=2−2.5. Cyclic fragments or those containing the −C=C− groups make the major contribution to the polysilane chain rigidity.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 12, pp. 2430–2433, December, 1998. 相似文献
16.
Derivative of 8-hydroxyquinoline i.e. Clioquinol is well known for its antibiotic properties, drug design and coordinating
ability towards metal ion such as Copper(II). The structure of mixed ligand complexes has been investigated using spectral,
elemental and thermal analysis. In vitro anti microbial activity against four bacterial species were performed i.e. Escherichia coli, Pseudomonas aeruginosa, Serratia marcescens, Bacillus substilis and found that synthesized complexes (15–37 mm) were found to be significant potent compared to standard drugs (clioquinol
i.e. 10–26 mm), parental ligands and metal salts employed for complexation. The kinetic parameters such as order of reaction
(n = 0.96–1.49), and the energy of activation (E
a = 3.065–142.9 kJ mol−1), have been calculated using Freeman–Carroll method. The range found for the pre-exponential factor (A), the activation entropy (S* = −91.03 to−102.6 JK−1 mol−1), the activation enthalpy (H* = 0.380–135.15 kJ mol−1), and the free energy (G* = 33.52–222.4 kJ mol−1) of activation reveals that the complexes are more stable. Order of stability of complexes were found to be [Cu(A4)(CQ)OH] · 4H2O > [Cu(A3)(CQ)OH] · 5H2O > [Cu(A1)(CQ)OH] · H2O > [Cu(A2)(CQ)OH] · 3H2O 相似文献
17.
A. B. Arbuzov V. A. Drozdov M. O. Kazakov A. V. Lavrenov M. V. Trenikhin V. A. Likholobov 《Kinetics and Catalysis》2012,53(3):357-362
The liquid-phase interaction between isobutane and butenes at 303 K and 2.5–3.0 MPa has been investigated using activated aluminum (Al*)-tert-butyl chloride (TBC) model system (TBC: Al* = 0.35−4 mol/mol). It has been demonstrated by attenuated total reflection FT-IR (ATR-FT-IR) spectroscopy that the catalytically active aluminum chloride complexes forming in situ in the hydrocarbon medium vary in composition. Alkylation as such takes place at equimolar proportions of the reactants (TBC: Al* = 1: 1) and butenes feed 1mass flow rate of 5 h−1 per gram of Al*. According to ATR-FT-IR data, the most abundant aluminum complexes resulting under these conditions are the AlCl4− and Al2Cl7− ions and, probably, the molecular complex AlCl3 · sec-C4H9Cl. In a fourfold excess of TBC over Al* at butenes mass feed rate of 2.5 h−1, isobutane undergoes self-alkylation. In this case, the Al2Cl7− ion is not detected and the most abundant complexes are AlCl4−, Al3Cl10− and the molecular species AlCl3 · tert-C4H9Cl. It is hypothesized that the Al2Cl7− ion plays the key role in the liquid-phase alkylation of isobutane with butenes. 相似文献
18.
A system of INDO parameters F0(ij) and Uii for the first-and second-row transition metals is proposed. The system correctly reproduces the energies of the lowest terms
of dn, dn−1s, dn−2s2, dn−1p, and dn−2sp configurations of M0 atoms and M1+ ions. The parameters are estimated from spectroscopic values of energies of the terms and Fk(ij) and Gk(ij) parameters.
St. Petersburg State University. Translated fromZhurnal Strukturnoi Khimii, Vol. 35, No. 4, pp. 3–11, July–August, 1994.
Translated by O. Kharlamova 相似文献
19.
A. I. Kazakov Yu. I. Rubtsov G. B. Manelis L. P. Andrienko 《Russian Chemical Bulletin》1997,46(12):2015-2020
Kinetic regularities of thermal decomposition of dinitramide in aqueous and sulfuric acid solutions were studied in a wide
temperature range. The rate of the thermal decomposition of dinitramide was established to be determined by the rates of decomposition
of different forms of dinitramide as the acidity of the medium increases: first, N(NO2)− anions, then HN(NO2)2 molecules, and finally, protonated H2N(NO2)2
+ cations. The temperature dependences of the rate constants of the decomposition of N(NO2)− (k
an) and HN(NO2)2 (k′ac) and the equilibrium constant of dissociation of HN(NO2)2 (K
a) were determined:k
an=1.7·1017 exp(−20.5·103/T), s−1,k′ac=7.9·1016 exp(−16.1·103/T), s−1, andK
a=1.4·10 exp(−2.6·103/T). The temperature dependences of the decomposition rate constant of H2N(NO2)2
+ (k
d) and the equilibrium constant of the dissociation of H2N(NO2)2
+ (K
d) were estimated:k
d=1012 exp(−7.9·103/T), s−1 andK
d=1.1 exp(6.4·103/T). The kinetic and thermodynamic constants obtained make it possible to calculate the decomposition rate of dinitramide solutions
in a wide range of temperatures and acidities of the medium.
In this series of articles, we report the results of studies of the thermal decomposition of dinitramide performed in 1974–1978
and not published previously.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 12, pp. 2129–2133, December, 1997. 相似文献
20.
A. M. Nazarov E. M. Chainikova S. L. Khursan A. N. Ryzhkov R. L. Safiullin V. D. Komissarov 《Russian Chemical Bulletin》1998,47(7):1292-1295
The kinetics of self-termination of benzophenone oxide (BPO) in the liquid phase was studied by flash photolysis. The extinction
coefficient of BPO (ε) was found to be virtually independent of the solvent nature, ε=(1.9±0.1)·103 L mol−1 cm−1. The rate constant of the BPO self-temination increases from 1.8·107 (MeCN) and 7.4·107 (C6H6) to 1.5·109 (n-decane) and 2.0·109 L mol−1 s−1 (n-pentane) at 293±2 K. Solvation of BPO promotes a polar state of the molecule in MeCN and C6H6. In nonpolar hydrocarbons, a great contribution is made by the biradical structure resulting in an increase in the rate constant
and a shift of the absorption maximum to the long-wave region (from 410 nm in MeCN to 425 nm inn-pentane). In solutions of benzene and acetonitrile, benzophenone oxide reacts with the parent diazo compound with a rate
constant of (2–4)·105 L mol−1 s−1 (293±2 K) along with the self-termination.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 7, pp. 1329–1332, July, 1998. 相似文献