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1.
Hongli Liu Satoko Kido Tadashi Kamiyama Masao Fujisawa Takayoshi Kimura 《Journal of Thermal Analysis and Calorimetry》2010,102(3):1123-1133
To obtain further systematic information for the isomer systems, the excess molar enthalpies for binary (o + m), (o + p), (m + p)-isomers of methoxymethylbenzene, ethylmethylbenzene, diethylbenzene, chloromethylbenzene, tolunitrile and fluorobenzonitrile,
tolylacetonitrile were measured at 298.15 K. In this article, the results are discussed and compared with those of previous
works. The excess enthalpies of binary systems in different solid and liquid states were measured when the pure component
of o-/m-tolunitrile, fluorobenzonitrile was titrated into the prior (o + p) or (m + p) mixtures. A series calculation for the interaction energies (IE) between the isomers was carried out for the pair molecules by ab initio MO of Gaussian 09. Correlations between the excess
enthalpies at a molar fraction of x = 0.5 and the intermolecular energy are discussed. 相似文献
2.
I. E. Paukov Yulia A. Kovalevskaya Elena V. Boldyreva 《Journal of Thermal Analysis and Calorimetry》2008,93(2):423-428
Heat capacity C
p(T) of the orthorhombic polymorph of L-cysteine was measured in the temperature range 6–300 K by adiabatic calorimetry; thermodynamic functions were calculated
based on these measurements. At 298.15 K the values of heat capacity, C
p; entropy, S
m0(T)-S
m0(0); difference in the enthalpy, H
m0(T)-H
m0(0), are equal, respectively, to 144.6±0.3 J K−1 mol−1, 169.0±0.4 J K−1 mol−1 and 24960±50 J mol−1. An anomaly of heat capacity near 70 K was registered as a small, 3–5% height, diffuse ‘jump’ accompanied by the substantial
increase in the thermal relaxation time. The shape of the anomaly is sensitive to thermal pre-history of the sample. 相似文献
3.
A. V. Piskunov I. N. Meshcheryakova E. V. Baranov G. K. Fukin V. K. Cherkasov G. A. Abakumov 《Russian Chemical Bulletin》2010,59(2):361-370
New tin(iv) mono- and bis-o-iminosemiquinone complexes were obtained by the exchange reaction of radical anion lithium salt of 4,6-di-tert-butyl-N-(2,6-diisopropylphenyl)-o-imino-benzoquinone with tin(iv) organochlorides. The compounds synthesized were characterized by EPR spectroscopy and X-ray diffraction analysis. Substituents
on the tin atom were found to affect stability of paramagnetic metal derivatives formed. 相似文献
4.
Hongli Liu Tomoko Yamashita Tadashi Kamiyama Masao Fujisawa Takayoshi Kimura 《Journal of Thermal Analysis and Calorimetry》2010,99(1):95-103
The excess molar enthalpies of 8 binary mixtures for the o-, m-, and p-isomers of fluoroiodobenzene, fluoromethoxybenzene, bromofluorobenzene, chlorofluoro-benzene, difluorobenzene, fluoromethylbenzene,
fluoronitrobenzene, and aminofluoro-benzene were measured at 298.15 K. The changes of the measured enthalpies were very small.
The experimental results revealed that the isomers containing two electron-acceptor groups showed the most positive excess
enthalpy change, while isomers containing both one electron donor and one electron acceptor group, such as aminofluorobenzene,
showed more stable and always the most negative results. 相似文献
5.
Y. P. Liu Y. Y. Di W. Y. Dan D. H. He Y. X. Kong W. W. Yang 《Journal of Thermal Analysis and Calorimetry》2011,103(3):987-993
Dodecylamine hydrochloride C12H25NH3·Cl(s) and bis-dodecylammonium tetrachlorozincate (C12H25NH3)2ZnCl4(s) were synthesized by the method of liquid phase reaction. The constant-volume energy of combustion of dodecylamine hydrochloride
was measured by means of a RBC-II precision rotating-bomb combustion calorimeter at T = (298.15 ± 0.001) K. The standard molar enthalpy of formation of C12H25NH3·Cl(s) was calculated to be
\Updeltaf Hmo \Updelta_{\rm{f}} H_{\rm{m}}^{\rm{o}} (C12H25NH3·Cl, s) = −(706.79 ± 3.97) kJ mol−1 from the constant-volume energy of combustion. In accordance with Hess’ law, a reasonable thermochemical cycle was designed
and the enthalpy change of the synthesis reaction of the complex (C12H25NH3)2ZnCl4(s) was determined by use of an isoperibol solution-reaction calorimeter. The standard molar enthalpy of formation of (C12H25NH3)2ZnCl4(s) was calculated as
\Updeltaf Hmo \Updelta_{\rm{f}} H_{\rm{m}}^{\rm{o}} [(C12H25NH3)2ZnCl4, s] = −(1862.14 ± 7.95) kJ mol−1 from the standard molar enthalpy of formation of C12H25NH3·Cl(s) and other auxiliary thermodynamic data. 相似文献
6.
U. S. Makhmudov Sh. B. Rakhimov B. Tashkhodzhaev M. G. Levkovich V. I. Vinogradova 《Chemistry of Natural Compounds》2008,44(2):208-212
The molecular structures of N-(o-and p-hydroxybenzyl)cytisine were investigated by NMR spectroscopy, x-ray structure analysis, and molecular modeling. It was found
that NMR resonances of the OH and aromatic protons in N-(o-hydroxybenzyl)cytisine were doubled because of the presence of two conformers in solution.
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Translated from Khimiya Prirodnykh Soedinenii, No. 2, pp. 165–168, March–April, 2008. 相似文献
7.
T. F. Ibragimov M. G. Levkovich V. A. Saprykina Kh. M. Shakhidoyatov 《Chemistry of Natural Compounds》2010,46(5):767-770
N-Chloroacetylcytisine was synthesized by acylation of (–)-cytisine. Stable Z- and E-conformers with respect to rotational isomerism around the N-12–CO bond were found in PMR spectra at room temperature. The
point at which PMR resonances of the Z- and E-conformers coalesced upon heating was measured. The transition barrier between the conformers was estimated. 相似文献
8.
R. I. Kublashvili M. O. Labartkava K. P. Giorgadze D. Sh. Ugrekhelidze 《Chemistry of Natural Compounds》2008,44(4):413-415
N-Tolylglycosylamines were synthesized from o-, m-, and p-toluidines and aldoses (D-glucose, D-galactose, D-mannose, L-rhamnose, D-xylose, and L-arabinose). The anomeric and isomeric
compositions of the synthesized products were established using 13C NMR methods.
__________
Translated from Khimiya Prirodnykh Soedinenii, No. 4, pp. 333–335, July–August, 2008. 相似文献
9.
K. É. Miminoshvili A. N. Sobolev É. B. Miminoshvili L. A. Beridze É. R. Kutelia 《Journal of Structural Chemistry》2005,46(3):560-565
X-ray structural analysis has been performed for two complex compounds: Cu(en)2(o-HB)2H2O (I) (a = 16.873(4) Å, b = 8.713(2) Å, c = 14.803(3) Å, β = 91.15(2)°, V = 2175.8(8) Å3, C2/c, Z = 4, R(F) = 0.0263, 1516 reflections with I > 3σ (I)) and [Cu(en)2(OH2)2]2+(o-AB?)2 (II) (a = 7.488(5) Å, b = 22.122(8) Å, c = 7.856(5) Å, β = 118.77(2)°, V = 1140.7(11) Å3, P21/n, Z = 2, R(F) = 0.0432, 1684 reflections with I > 3σ(I)) synthesized under identical conditions (en is ethylenediamine, o-HB is o-hydroxybenzoate, and o-AB is o-aminobenzoate). Although the compounds were assumed to have similar structures and the Cu-Lig bond lengths and the cis and trans angles are acceptable for an octahedral structure, the geometric parameters of o-HB suggest that the copper atom has a plane square environment. 相似文献
10.
The photochemical reaction of o-iodo- and o-bromophenol in an aqueous sodium sulfite solution proceeds via both nonchain and chain mechanisms. The formation of the intermediate
product, aromatic radical anion, was observed. The quantum yield of the photochemical reaction of o-iodophenol increases, when the electron donor diphenylamine is irradiated. In the photolysis of o-halophenols in organic solvents, free iodine is evolved in addition to aromatic products. The products of the photolysis
of o-iodophenol in ethanol and carbon tetrachloride were identified by gas chromatography-mass spectrometry. These are phenol
in the case of ethanol and a mixture of o-chlorophenol and hydroxychloro-substituted biphenyls in the case of carbon tetrachloride. The quantum yields were determined
for all photochemical reactions studied. 相似文献
11.
A number of (Z)-N,N-dialkyl- and (Z)-N-acyl-N-alkyl-O-methylnicotinamide oximes was synthesized. Their configuration was confirmed by the NOESY experiment. Evaluation of fungicidal
activity of compounds obtained was performed. 相似文献
12.
A complete characterization for <Emphasis Type="Italic">k</Emphasis>-resonant Klein-bottle polyhexes
A hexagonal tessellation K(p, q, t) on Klein bottle, a non-orientable surface with cross-cap number 2, is a finite-sized elemental benzenoid which can be produced
from a p × q-parallelogram of hexagonal lattice with usual identifications of sides and with torsion t. Unlike torus, Klein bottle polyhex K(p, q, t) is not transitive except for some degenerated cases. We shall show, however, that K(p, q, t) does not depend on t. Accordingly, criteria for K(p, q, t) to be k-resonant for every positive integer k will be given. Moreover, we shall show that K(3, q, t) of 3-resonance are fully-benzenoid.
相似文献
13.
The possibility was demonstrated of selective preparation of m-carborane-C-carboxylic acid hexahydrobenzo[a]acridine esters both by the reaction of 1,3-diketones with azomethines obtained by condensation of m-carborane-C-carboxylic acid vanillin and vanillal esters with 1- or 2-naphthylamine and by the cascade heterocyclization
of 1- or 2-naphthylamine, m-carborane-C-carboxylic acid vanillin and vanillal esters, and CH-acids. 相似文献
14.
Resolution of racemic glycidyl (o, m, p)-methylphenyl ethers by using a newly isolated Botryosphaeria dothidea ZJUZQ007 with epoxide hydrolase activity affords enantiopure epoxides with enantiomeric excesses (e.e.s) of 91–99% and enantiomeric ratios (E) of 18.1 to 48.6. The (R)-enantiomer was obtained from rac-glycidyl (o or m)-methylphenyl ethers whereas the (S)-epoxides was obtained from glycidyl p-methylphenyl ether. Substitution pattern of the methyl group exerted effects both on configurations of the remaining epoxides
and enantioselectivities of epoxide hydrolase. The observations were explained by enzyme-substrate docking studies. It is
the first example showing that for kinetic resolution of glycidyl methylphenyl ethers, fungal species of B. dothidea was applied. 相似文献
15.
M. L. Antipova D. L. Gurina E. G. Odintsova V. E. Petrenko 《Russian Journal of Physical Chemistry A, Focus on Chemistry》2017,91(4):708-714
The solvate structures formed by the ortho-, meta-, and para-isomers of hydroxybenzoic acid (o-HBA, m-HBA, and p-HBA) with a polar co-solvent (methanol at a concentration of 0.030 and 0.035 mole fractions) in supercritical carbon dioxide at a constant density of 0.7 g/cm3 and temperatures of 318 and 328 K have been studied by the classic molecular dynamics. It has been determined that a stable hydrogen-bonded complex with the co-solvent forms via the hydrogen of the carboxyl group for all isomers. The probability of this complex existence is high at all temperatures and concentrations. In the o-HBA molecule, the other functional groups are engaged in the intramolecular hydrogen bond, but not involved in interactions with methanol. It has been found that m-HBA and p-HBA can be involved in hydrogen bonds with methanol via hydroxyl hydrogen and oxygen atoms; they are characterized by the presence of one more co-solvent molecule (rarely, two molecules) in their solvation shell and intermittent formations/breakages of hydrogen bonds via other functional groups. These bonds are far less stable, and their formation is sensitive to change of temperature and co-solvent concentration. It has been concluded that the degree of selective solvation of m-HBA and p-HBA by co-solvent molecules is approximately the same, but the rate of structural rearrangements in the nearest environment of m-HBA is higher than that of p-HBA. 相似文献
16.
A. A. Druzhinin N. E. Kaurov S. A. Nemkov V. A. Ishutin 《Journal of Analytical Chemistry》2010,65(12):1242-1244
A chemiluminescence method was developed for determining o-chlorobenzylidenemalonic acid dinitrile (o-CBMA DN) in extracts. The method is based on chemiluminescence developed in a strong alkaline solution upon the interaction between
3-aminophthalic hydrazide (luminol) with the superoxide radical formed in the reaction of atmospheric oxygen activated by
hemin with the products of the alkaline hydrolysis of o-chlorobenzylidenemalonic acid dinitrile and with the products of their condensation with p-nitrobenzaldehyde. The luminescence intensity of luminol was proportional to the concentration of o-CBMA DN in the range 1 × 10−6−1 × 10−1 mg/mL. The determination limit for o-CBMA DN was (1 ± 0.3) × 10−6 mg/mL (p = 95%, n = 5, RSD = 29%) at 293 K. 相似文献
17.
A. G. Kochur T. M. Ivanova A. V. Shchukarev R. V. Linko N. G. Terebova A. A. Sidorov I. L. Eremenko 《Russian Journal of Inorganic Chemistry》2011,56(3):402-408
The electronic structure of mono-, hexa-, and nonanuclear cobalt trimethylacetate complexes was studied by XPS. The Co3s- and Co3p X-ray photoelectron spectra of the complexes were recorded. The Co3p spectrum of bivalent cobalt was calculated in the isolated-ion intermediate-coupling approximation. Spectrum analysis showed
that the [Co(N-Phobsqdi)2(η′-N-Ph-opda)(OOCCMe3)] complex is a strong-field complex with Co(III) in the diamagnetic state; the [Co(dipy)2(OOCCMe3)2], [Co(dipyam)(OOCCMe3)2], and [Co9(μ3-OH)6(μ-OOCCMe3)12(OCMe2)4] are high-spin weak-field Co(II) complexes; and the [Co6(μ4-O)2(OOCCMe3)10(THF)4] complex contains both the Co(II) and Co(III) atoms. The energy position of major Co3s- and Co3p spectral maxima were found to be sensitive to the nature of the nearest environment of cobalt atoms. The data correlate well
with X-ray crystallographic data. 相似文献
18.
Ren Xu Chunhua Lu Xuan Wu Cheng Lin Zhonghui Zheng 《Chemistry of Natural Compounds》2009,45(6):797-799
One new ten-membered lactone (1) named (Z)-4,6,9-trihydroxy-10-nonyl-3,4,5,6,9,10-hexahydrooxecin-2-one along with 5-methoxycarbonylmellein (2) and cytochalasin D (3) were isolated from the culture of the endophytic fungus strain Tubercularia sp. TF5, originally separated from the inner bark of Taxus mairei obtained in Fujian Province, Southeast China. The structures of compounds 1–3 were elucidated by spectroscopic methods. The antimicrobial and cytotoxic activities of 1 were analyzed but it showed no significant activities. 相似文献
19.
Parnajyoti Karmakar Subhasis Mallick Biplab K. Bera Arup Mandal Subala Mondal Sudip K. Mukhopadhyay Alak K. Ghosh 《Transition Metal Chemistry》2010,35(8):911-916
The kinetics of the interaction of glycine-l-leucine (Glyleu) with cis-[Pt(cis-dach)(OH2)2]2+ (dach = 1,2-diaminocyclohexane) has been studied spectrophotometrically as a function of [cis-[Pt(cis-dach)(OH2)2]2+], [Glyleu] and temperature at pH 4.0, where the complex exists predominantly as the diaqua species and Glyleu as a zwitterion.
The substitution reaction shows two consecutive steps: the first is the ligand-assisted anation and the second is the chelation
step. The activation parameters for both the steps were evaluated using Eyring’s equation. The low ∆H1≠ (51.9 ± 2.8 kJmol−1) and large negative value of ∆S1≠ (−152 ± 8 JK−1mol−1) as well as ∆H2≠ (54.4 ± 1.7 kJmol−1) and ∆S2≠ (−162 ± 5 JK−1mol−1) indicate an associative mode of activation for both the aqua ligand substitution processes. 相似文献
20.
N. N. Smirnova Yu. A. Zakharova V. A. Ruchenin O. G. Zamyshlyayeva 《Russian Journal of Physical Chemistry A, Focus on Chemistry》2012,86(4):539-547
The temperature dependence of the heat capacity of cross-linked and branched (co)polymers based on tris- and bis-(pentafluorophenyl)germanes is studied in the temperature range of 6–7 to 535–570 K, using adiabatic vacuum and differential
scanning calorimeters. In the indicated temperature range, physical transformations are revealed and their thermodynamic characteristics
are determined. The obtained experimental data are used to calculate the thermodynamic functions of (co)polymers: C
p
/°, H°(T) - H°(0), S°(T) - S°(0), and G°(T) - H°(0) in the range of T → 0 to 535 K for the branched (co)polymer and from T → 0 to 500 K for the cross-linked polymer. Their standard entropies of formation are determined at 298.15 K. The obtained
results are compared with analogous data for hyperbranched perfluorinated polyphenylenegermane studied earlier. The effect
of the structure of polyphenylenegermanes on their thermodynamic properties is analyzed. 相似文献