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1.
V. I. Kovalenko L. I. Maklakov E. I. Borisoglebskaya L. I. Potapova E. A. Shokova I. M. Vatsouro V. V. Kovalev 《Russian Chemical Bulletin》2007,56(6):1103-1109
Based on the Fourier transform IR spectroscopy together with the published NMR and X-ray data, it was shown that cyclic co-operative
intramolecular hydrogen bond in calix[n]arene (n = 4, 6, 8) molecules is mainly responsible for their conformational state irrespective of the presence or absence of bulky
substituents at the upper rim of the molecules. In accordance with the size of a macrocycle (n = 4, 6, 8), the stable conformation, secured by such a hydrogen bond, constitutes a cone, a pinched cone, and a pleated loop, respectively. The new, potentially competing system of hydrogen bonds in calix[6]arenes with 3-carboxymethyl-1-adamantyl
substituents does not affect the conformational state of the macrocycle and its H-bonding. Six carboxy groups at the upper
rim form in pairs three cyclic dimers, which does not disturb the hydrogen bonds of the hydroxy groups and the conformation
of the macrocycle. In addition, the cavity of the molecule is considerably enlarged. The removal or rearrangement of the guest
molecules in the solid calixarene by heating up to 180 °C only slightly affects the conformational state of macrocycles bearing
bulky substituents, whereas in calixarenes devoid of such substituents, the similar procedure leads to somewhat of a distortion
of the macrocycles (judging from the IR spectral indications of hydrogen bonding).
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1062–1068, June, 2007. 相似文献
2.
A. D. Dubonosov V. P. Rybalkin Ya. Yu. Vorob’eva V. A. Bren’ V. I. Minkin S. M. Aldoshin V. V. Tkachev A. V. Tsukanov 《Russian Chemical Bulletin》2004,53(10):2248-2252
It was shown by electron absorption spectroscopy and X-ray diffraction analysis that steric strains in photochromic 2-(N-acyl-N-arylaminomethylene) benzo[b]thiophen-3(2H)-one molecules ortho-substituted in the N-phenyl ring increase the quantum yield of the N→O photoinduced rearrangement in accord with an increase in the steric constant of the ortho-substituent.__________Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 10, pp. 2151–2155, October, 2004. 相似文献
3.
The molar heat capacities of the binary mixture
composed of water and n-butanol were measured with an adiabatic calorimeter
in the temperature range 78–320 K. The functions of the heat capacity
with respect to thermodynamic temperature were established. A glass transition,
solid–solid phase transition and solid–liquid phase transition
were observed. The corresponding enthalpy and entropy of the solid–liquid
phase transition were calculated, respectively. The thermodynamic functions
relative to a temperature of 298.15 K were derived based on the relationships
of the thermodynamic functions and the function of the measured heat capacity
with respect to temperature. 相似文献
4.
D. A. Panov V. I. Grishkovets V. V. Kachala A. S. Shashkov 《Chemistry of Natural Compounds》2005,41(3):322-325
The known hederagenin 3-O-β-D-glucopyranosyl-(1→4)-O-β-D-xylopyranosyl-(1→ 3)-O-α-L-rhamnopyranosyl-(1→2)-O-α-L-arabinopyranoside (sapindoside C) and its 28-O-α-L-rhamnopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl and 28-O-α-L-rhamnopyranosyl-(1→4)-O-6-O-acetyl-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl esters, new triterpene glycosides, were isolated from leaves of Kalopanax septemlobum var. maximowiczii introduced to Crimea. The structures of these compounds were established using chemical methods and two-dimensional NMR spectroscopy.__________Translated from Khimiya Prirodnykh Soedinenii, No. 3, pp. 260–262, May–June, 2005. 相似文献
5.
The dried and aerial part of Linum mucronatum ssp. mucronatum was analyzed by gas chromatography-mass spectrometry (GC-MS). Two aryltetralin lignans, podophylloyoxin, 6-methoxypodophylloyoxin, and β-peltatin, were identified. This is the first report of the analysis of L. mucronatum ssp. mucronatum.__________Published in Khimiya Prirodnykh Soedinenii, No. 1, pp. 24–25, January–February, 2005. 相似文献
6.
I. A. Novakov V. V. Korolkov A. I. Pavlyuchko B. S. Orlinson L. A. Gribov 《Journal of Structural Chemistry》2004,45(4):563-569
An ab initio (6-31G**) study of binary associates of aniline and n-propylamine with nitrobenzene and m-cresol has been carried out. The structures corresponding to the total energy minimum of the system have been found for the associates, and their geometrical and energy characteristics have been determined. Basic types of intermolecular interactions have been established, and their effects on the reactivity of the amino group have been investigated.Original Russian Text Copyright © 2004 by I. A. Novakov, V. V. Korolkov, A. I. Pavlyuchko, B. S. Orlinson, and L. A. GribovTranslated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 4, pp. 595–601, July–August, 2004.This revised version was published online in April 2005 with a corrected cover date. 相似文献
7.
Hanyuan Deng 《Journal of mathematical chemistry》2008,43(1):119-133
A (n, n + 1)-graph G is a connected simple graph with n vertices and n + 1 edges. In this paper, we determine the lower bound for the Hosoya index in (n, n + 1)-graphs in terms of the order n, and characterize the (n, n + 1)-graph with the smallest Hosoya index. 相似文献
8.
M. Madesclaire V. P. Zaitsev J. V. Zaitseva S. Kh. Sharipova 《Chemistry of Heterocyclic Compounds》2007,43(10):1325-1332
A synthesis is reported for (4R,5R)-and (4S,5S)-4-hydroxymethyl-5-(4-nitrophenyl)oxazolidin-2-ones and (1′R,4R)-and (1′S,4S)-4-[hydroxy(4-nitrophenyl)methyl]oxazolidin-2-ones from (1R,2R)-and (1S,2S)-2-amino-1-(4-nitrophenyl)-1,3-propanediols. The effect of the experimental conditions on the formation of these compounds
was studied.
__________
Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 10, pp. 1562–1570, October, 2007. 相似文献
9.
A new synthetic approach to 4E,7Z-tridecadien-1-ylacetate, a component of the Phthorimaea opercucella (Zeller) potato moth sex pheromone, was developed using a highly stereoselective Claisen rearrangement and Wittig reaction.
__________
Translated from Khimiya Prirodnykh Soedinenii, No. 3, pp. 235–236, May–June, 2007. 相似文献
10.
11.
A differential scanning
calorimeter (DSC) was used to determine binary solid-liquid equilibria (SLE)
for dibenzofuran+n-C24 and naphthalene+n-C24 mixtures. Results obtained with this technique
were compared with those predicted by two modified UNIFAC (Universal Functional
group Acitivity Coefficients) versions. This model is employed with the idea
to extensively investigate the validity of UNIFAC (Larsen and Gmehling versions).
The corresponding activity coefficients were calculated and applied to the
prediction of non-electrolyte mixtures real behavior. Reasons of prediction
without success in the case of using original interaction parameters, were
analysed and discussed. Interesting representation of solubility diagrams
was obtained using partly readjusted UNIFAC interaction parameters. The two
systems selected can be used for contributing to develop the data base using
group contribution methods. For practical purposes, SLE are of interest in
chemical process design, especially when process conditions must be specified
to prevent precipitation of a solid. 相似文献
12.
Summary. Alkylation of Reissert compounds with certain benzoquinolizinone derivatives followed by hydrolytic cleavage afforded the core of the title compounds
in a two step sequence. Finally, the lactam intermediates were reduced with DIBAH giving the target compounds, the structural and stereochemical assignments of which were achieved by 13C NMR spectroscopy.
Part of PhD thesis, LMU München, D 相似文献
13.
G. S. Citoglu B. S. Yilmaz B. Tarikahya R. Tipirdamaz 《Chemistry of Natural Compounds》2005,41(3):299-302
Sixteen taxa of Ballota were investigated by analyzing the contents of diterpenoid and flavonoid compositions, and the relationships were compared with their morphological properties. HPLC chromatograms of diterpenoids and flavonoids from acetone extracts of sixteen Ballota taxa revealed the presence of thirteen compounds. Isolated compounds from Ballota species were evaluated by the unweighted pair-group arithmetic average (UPGMA) clustering method. B. glandulosissima is distinct from all other taxa in the dendogram, and this species is morphologically different from other taxa by having a high number of glandular hairs. The second group is composed of B. saxatilis ssp. saxatilis and B. inaequidens; these two species are in close kinship as evidenced by their morphology (similar calyx shape). In the latter clusters at most, the affinities among taxa, as suggested by diterpenoid and flavonoid pattern, are only partially congruent with affinities based on other evidence. In general, morphologic, anatomic characters, distributions, and habitats are not concordant with the clusters. Also, no concordance was found between the sections, phylogenetic order [1], and those of the groups formed by cluster analyses.__________Published in Khimiya Prirodnykh Soedinenii, No. 3, pp. 242–244, May–June, 2005. 相似文献
14.
The structural behavior of water microimpurities in n-alkanols (C1-C7) is considered by using our and literature data on the bulk properties of infinitely dilute solutions of H2O in the above organic solvents at 278.15 K, 298.15 K, and 318.15 K. Volume effects of water solution in hypothetical alkanols HOH (pseudowater) and H(CH2)OH (pseudomethanol) with molar volumes corresponding to volume effects in water and methanol in pure liquid states have been evaluated. The behavior of water in methanol, which is distinct from the behavior of other H2O—n-alkanol systems, is of configurational nature and is associated with the unique molecular structure of this alcohol (i.e., with the absence of hydrocarbon chains in its molecules) and also with steric peculiarities of the arrangement of solute molecules in the structural matrix of the solvent (so-called “edge effect”).Original Russian Text Copyright © 2004 by E. V. Ivanov, V. K. Abrosimov, and E. Yu. Lebedeva__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 5, pp. 862–869, September–October, 2004. 相似文献
15.
A. R. Jassbi M. Mehrdad M. Soleimani M. Mirzaeian A. Sonboli 《Chemistry of Natural Compounds》2005,41(4):415-417
Analyses of the essential oils of Bunium elegans (Fenzl) Freyn and B. caroides (Boiss.) Hausskn. ex Bornm., using GC, GC/MS, and13 C-NMR spectroscopy resulted in identification of their chemical constituents. The oils of both species contain mainly the
sesquiterpene hydrocarbons germacrene-D and E-caryophyllene, which amounted to 24.1% and 38% for B. elegans and 22.1% and 26.6% for B. caroides respectively. The oil of B. caroides contained the monoterpenes α-pinene and Z-β-ocimene in 4.1 and 5.9% respectively, while traces of monoterpenes were detected
for B. elegans. On the other hand, in B. caroides the phenylpropanoid derivatives asaricin (7.5%) and dillapiole (10.2%) were among the major constituents.
__________
Published in Khimiya Prirodnykh Soedinenii, No. 4, pp. 335–336, July–August, 2005. 相似文献
16.
T. Kimura Y. Takahashi T. Kamiyama M. Fujisawa 《Journal of Thermal Analysis and Calorimetry》2007,88(2):587-595
Excess enthalpies (H
E)
of 17 binary mixtures of o- and m-isomers of dichlorobenzene, difluorobenzene, methoxymethylbenzene,
dimethylbenzene, dimethoxybenzene, aminofluorobenzene, fluoronitrobenzene,
diethylbenzene, chlorofluorobenzene, fluoroiodobenzene, bromofluorobenzene,
chloromethylbenzene, fluoromethylbenzene, bromomethylbenzene, iodomethylbenzene,
fluoromethoxybenzene, dibromobenzene at 298.15 K were measured. All excess
enthalpies measured were very small, and those of o-+m-isomers of aminofluorobenzene, dibromobenzene and
iodomethylbenzene were negative but 14 other binary mixtures of isomers were
positive over the whole range of mole fractions. H
E
of o-+m-isomers
of dimethoxybenzene showed the largest enthalpic instability and those of
aminofluorobenzene showed the largest enthalpic stability. There was a correlation
between dipole–dipole interaction, dipole–induced dipole interaction
or entropies of vaporization and excess partial molar enthalpies at infinite
dilution. 相似文献
17.
The geometries of N,N′-diphenylbenzene-1,4-diamine (DPPD), N-phenyl-N′-(1-phenylethyl)benzene-1,4-diamine (SPPD), N-(4-methylpentan-2-yl)-N′-phenylbenzene-1,4-diamine (6PPD), N-propan-2-yl-N′-phenylbenzene-1,4-diamine (IPPD), N-(2-methoxybenzyl)-N′-phenylbenzene-1,4-diamine (MBPPD), and N-phenyl-N′-(2-phenylpropan-2-yl)benzene-1,4-diamine (CPPD) as well as of their dehydrogenation products were optimized by the semiempirical
AM1 method. The results support the idea of stable NB=CX structures formation during the consecutive dehydrogenation of SPPD, 6PPD, IPPD, and MBPPD antioxidants. The biradicals formed
during the second step of dehydrogenation of substituted phenylenediamines might be important for their antioxidant effectiveness.
Dedicated to Professor Vladimír Kvasnička, DrSc., in honour of his 65th birthday 相似文献
18.
Two new phenolic glycosides named meoside-A (1) and meoside-B (2) were isolated from Lespedeza juncea. Two compounds were characterized on the basis of 1D and 2D spectral analysis and chemical derivatization.
Published in Khimiya Prirodnykh Soedinenii, No. 5, pp. 479–480, September-October, 2008. 相似文献
19.
The new alkaloid O-acetylnitraraine was isolated from the aerial part of Nitraria schoberi. Its structure was established using spectral data and chemical transformations.
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Translated from Khimiya Prirodnykh Soedinenii, No. 5, pp. 472–473, September–October, 2005. 相似文献
20.
N-Bromo and N-chlorosuccinimides add to 1-phenyltricyclo[4.1.0.02,7]heptane in CH2Cl2 with cleavage of the C(1)-C(7) bond to give isomeric 1 : 1 Markownikoff-type endo, anti-adducts of the norpinane structure in a ∼3 :7 ratio corresponding to N and O alkylation of succinimide.__________Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No.2, pp. 457–460, February, 2005 相似文献