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31.
Intermolecular Interactions in 8-Aza-D-Homogonane Crystals and their Manifestation in the IR Spectra
A. A. Akhrem A. A. Govorova O. V. Gulyakevich A. S. Lyakhov A. L. Mikhal'chuk I. V. Skornyakov G. B. Tolstorozhev 《Journal of Applied Spectroscopy》2004,71(2):156-163
Crystalline modifications of 8-aza-D-homogon-1,3,5(10),13-tetraen-12,17a-dione have been investigated by IR spectroscopy and x-ray structural analysis. It is shown that this compound crystallizes from solutions of chloroform with hexane in the form of a solvate comprised of chelate hydrogen bonds between the hydrogen atom of the chloroform molecule and the oxygen atoms of the carbonyl groups of the 8-azasteroid molecule. A relation between the changes in the characteristic absorption bands of the CH2-, C=O-, and I=C groups and the structure of the crystalline modifications has been established. 相似文献
32.
As predicted by Haldane, spin, S=1 one-dimensional (1D) Heisenberg antiferromagnet (HAF) has an energy gap between the singlet ground state and first excited triplet. On application of magnetic field, the triplet state Zeeman splits and the energy of one of the triplet state becomes zero at a critical field, Hc. Above Hc the system recovers magnetism. Then, we expect that a quasi-1D HAF will show a magnetic long-range ordering (LRO) at low temperatures due to the inter-chain coupling. This field-induced LRO has not been observed before due to complication of the crystal structure in the materials studied so far and/or technical difficulty.From a heat capacity measurement on a single crystal of an S=1 quasi-Q1D HAF, Ni(C5H14N2)2N3(PF6), we found an anomaly at a temperature in finite fields indicating a field-induced phase transition. A magnetic LRO is confirmed by a neutron diffraction measurement on the same sample. The temperature versus magnetic field phase diagram of this compound is constructed and discussed. 相似文献
33.
Hiroshi Yamauchi Keiko Takahashi Mari Mashiko Juichiro Saitoh Yukio Yamamura 《应用有机金属化学》1992,6(4):383-388
We calculated the intake of each chemical species of dietary arsenic by typical Japanese, and determined urinary and blood levels of each chemical species of arsenic. The mean total arsenic intake by 35 volunteers was 195±235 (15.8-1039) μg As day?1, composed of 76% trimethylated arsenic (TMA), 17.3% inorganic arsenic (Asi), 5.8% dimethylated arsenic (DMA), and 0.8% monomethylated arsenic (MA): the intake of TMA was the largest of all the measured species. Intake of Asi characteristically and invariably occurred in each meal. Of the intake of Asi, 45-75% was methylated in vivo to form MA and DMA, and excreted in these forms into urine. The mean measured urinary total arsenic level in 56 healthy volunteers was 129±92.0 μg As dm?3, composed of 64.6% TMA, 26.7% DMA, 6.7% Asi and 2.2% MA. The mean blood total arsenic level in the 56 volunteers was 0.73±0.57 μg dl?1, composed of 73% TMA, 14% DMA and 9.6% Asi. The urinary TMA levels proved to be significantly correlated with the whole-blood TMA levels (r = 0.376; P<0.01). 相似文献
34.
35.
36.
Thin films of polystyrene (PS), poly(methyl methacrylate) (PMMA) and polystyrene-polyacrylonitrile copolymer (PS-AN), containing various embedded transition-metal complexes, have been studied by FTIR microscopy. The spatial distributions of the transition-metal carbonyl complexes throughout the thin organic polymer films have been determined by a two-dimensional IR mapping procedure. The spectral variations observed in the distribution of the metal carbonyls throughout the different polymer films are discussed. The IR data show that the technique used to prepare the organometallic-embedded thin films (viz. freeze-drying of solutions followed by hot mechanical pressing of the residues) does in general lead to homogeneous films which may eventually find industrial application, e.g. as membrane sensors for small molecules. 相似文献
37.
N-Acylalkylation of neutral and anionic N-nucleophiles with α-halocarbonyl compounds was investigated by quantum chemical methods
in terms of the density functional theory and by experimental methods for 2,3-dihydroimidazo[2,1-b]quinazolin-1(10)H-5-one, its N-anion, and simpler model structures. High reactivity of these reagents is determined primarily by stabilization
of transition states (TS) by bridge bonds involving halogen or nitrogen atoms rather than by conjugation, as has been commonly
accepted. Bridged TS are formed by both the substitution mechanism S
N
2 and the addition-elimination mechanism. α-Haloalkyl-substituted zwitterions, which are potential intermediates of stepwise
N-acylalkylation of neutral N-nucleophiles, do not exist in the isolated state, but they are rather efficiently stabilized
upon solvation. These zwitterions, as well as analogous O-anions generated from anionic N-nucleophiles, can serve as intermediates
of N-acylalkylation, as was demonstrated by localization of the corresponding TS.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1150–1164, June, 2007. 相似文献
38.
E. S. Dy H. Kasai 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2007,41(2):241-245
We study the interaction between tin(II) porphyrin (SnPor) with platinum and
non-precious Group 8B metals (iron, cobalt and nickel) by density functional
theory and discuss the electronic properties of the resulting products. We
also model the interaction of the resulting compounds with water where
applicable. Our studies indicate that, SnPor-Ni possesses electronic
properties similar to SnPor-Pt, suggesting that it may possess similar
photocatalytic properties for reduction reactions, such as converting water
to hydrogen gas. 相似文献
39.
G. K. Shenoy 《Hyperfine Interactions》2006,170(1-3):5-13
Stanley L. Ruby (1924–2004) made major contributions to Mössbauer spectroscopy and was the first to suggest the feasibility of observing the Mössbauer effect using synchrotron radiation. In this article we recall his scientific legacy that have inspired his scientific colleagues. 相似文献
40.
Adriana Tudose 《Tetrahedron letters》2006,47(48):8529-8533
Simple catalysts formed in situ from palladium acetate and a variety of imidazolium and imidazolinium carboxylates and dithiocarboxylates have been screened in the coupling of aryl halides with trans-2-phenylvinylboronic acid. Imidazol(in)ium carboxylates show an excellent activity, which compares to that displayed by the parent imidazol(in)ium chlorides, whereas imidazol(in)ium dithiocarboxylates are poorly efficient. Interestingly, the base employed exerts a profound influence on the trans/cis stereochemistry of the coupling product. 相似文献