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101.
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103.
Del Guerra A Lim CB Lum GK Ortendahl D Perez-Mendez V 《IEEE transactions on medical imaging》1982,1(1):4-11
A multiplanar positron camera is proposed, made of six MWPC modules, arranged to form the lateral surface of a hexagonal prism. Each 50 x 50 cm(2) module has a single MWPC sandwiched by two 2-cm thick lead glass tube converters. The experimental results for a 15 x 15 cm(2) test module are reported. For 511 keV gamma-rays incident almost perpendicular onto a 1.0-cm thick converter, a detection efficiency of 4.3%, a time resolution of 130 ns (FWHM) and a spatial resolution of 2.8 mm (FWHM) have been measured with a standard Argon-Methane (70-30) mixture at 1.2 atm. The chamber may also be operated in high resolution mode: 1.2-mm (FWHM) spatial resolution has been measured at a 50% lower efficiency. The use of fast delay lines (specific delay 8 ns/cm) for the position read-out ensures a high rate capability. The expected performance of the six-module MWPC camera is discussed and compared with that of a BGO crystal ring camera. The MWPC solution seems very attractive not only for its low cost and simplicity of construction, but also for its fully three-dimensional imaging capability. 相似文献
104.
G. Del Piero M. Cesari S. Cucinella A. Mazzei 《Journal of organometallic chemistry》1977,137(3):265-274
The compounds [((THF)Mg)(HA1N-t-Bu)3] (I) and [((THF)3Ca)(HA1N-t-Bu)3] · THF (II) have been structurally characterized from single-crystal diffraction data. The molecular structures are based on an (A1N)4 “cubane” type framework in which an aluminum is replaced by an alkaline earth metal. According to the size and the coordination of the “foreign” atom (four for Mg, six for Ca) the cubic geometry of the cage is increasingly distorted. Coordination is completed by one molecule of THF to the Mg atom and three molecules to the Ca atom; in II a molecule of THF crystallizes with a cage molecule. Mean MgN and CaN bond distances are 2.090(4) and 2.490(2) Å. Crystal data: I, orthorombic, space group Pbca, a 17.107(2), b 17.305(4) and c 20.220(5) Å, Z = 8, calculated density 1.031 g/cm3; II, orthorombic, space group Pbca, a 20.48(1), b 20.38(1), c 20.51(1), Z = 8, calculated density 1.081 g/cm3. 相似文献
105.
E. Delée L. Le Garrec I. Jullien S. Béranger J. C. Pascal H. Pinhas 《Chromatographia》1987,24(1):357-359
Summary A routine chiral analysis has been developed to control the optical purity of chiral drugs and to monitor their asymmetric
synthesis. The recent advent of new chiral stationary phases for HPLC enabled us to achieve the direct resolution of chiral
drugs without any derivatization.
The factors affecting chiral resolution on a new alpha1-acid glycoprotein column (EnantioPac, LKB) were assessed with three beta-aminoalcohols. 相似文献
106.
Enrico Tagliaferri Philippe Campiche Raymond Roulet Raphy Gabioud Pierre Vogel Gervais Chapuis 《Helvetica chimica acta》1985,68(1):126-134
The Friedel-Crafts monoacylation of trans-η-[(1RS,2RS,4SR,5SR,6RS,7SR,8SR)-C,5,6,C-η:C,7,8,C-η-(5,6,7,8-tetramethylidene-2-bicyclo[2.2.2]octyl acetate)]-bis(tricarbonyliron) ((±)- 5 ) is highly stereoselective and yields trans-η-[(1RS,2RS,4RS,5SR,6RS,7RS,8SR)-C,6-η,oxo-σ:C,7,8,C-η-(6,7,8-trimethylidene-5-((Z)-2-oxopropylidene)-2-bicyclo[2.2.2]octyl acetate)]-bis(tricarbonyliron) ((±)- 8 ) which equilibrates with the trans-η-[(1RS,2RS,4RS,5SR,6RS,7RS,8SR)-C,5,6,C-η:C,7,8,C-η-(6,7,8-trimethylidene-5-((Z)-2-oxopropylidene)-2-bicyclo[2.2.2]octyl acetate)]-bis(tricarbonyliron) ((±)- 9 ) on heating. Optically pure (–)- 9 has been prepared from the corresponding optically pure alcohol (+)- 4 . The structure and absolute configuration of (–)- 9 was established by single-crystal X-ray diffraction. 相似文献
107.
Laurent De Windt Detlef W. M. Hofman Lorenzo Pisani Enrico Clementi 《International journal of quantum chemistry》1995,53(2):131-147
The Coulomb–Hole–Hartree–Fock method introduced by E. Clementi in the early 1960s and reparametrized more recently by S. Chakraworty and E. Clementi to compute the correlated electronic energy in atomic systems, is here extended to compute molecules. The new parametrization is obtained empirically by fitting first and second atomic ionization potentials from He to Ca and a few diatomic molecules. The present formulation makes use of either one or more determinants in order to ensure proper dissociation products, following the early proposal of G.C. Lie and E. Clementi in the context of density functional computations for molecular systems. The new formulation is tested against the dissociation energies of a large number of molecules and it is found satisfactory. © 1995 John Wiley & Sons, Inc. 相似文献
108.
This paper deals with the synthesis of six σ-cyclohexylethynyl complexes of CoII and FeII and their characterization by chemical analysis, infrared and 1H NMR spectra, and magnetic measurements. Four of them are six-coordinate complexes, unsubstituted or substituted, namely K4[M(C≡C—C6H11)6] nNH3(M = Co, n = 2; M = Fe, n = 0), K2[Co(C≡C6H11)4(NH3)2] and K4[Fe(CN)4-(C≡C—C6H11)2]. Two are four-coordinate complexes of formula [(Ph3P)2M-(C≡C6H11)2] (M = Co, Fe). All are low-spin complexes, the magnetic moment for the six-coordinate Co(II) complexes, measured at various temperatures, being intermediate between low- and high-spin values. 相似文献
109.
Michelini Mdel C Russo N Alikhani ME Silvi B 《Journal of computational chemistry》2005,26(12):1284-1293
The interaction between molybdenum, atom, and dimer, with nitrous oxide has been investigated using density functional theory. The analysis of the potential energy surfaces for both reactions has revealed that a single molybdenum atom can activate the N--O bond of N2O requiring a small activation energy. However, the presence of several intersystem crossings between three different spin states, namely, septet, quintet and triplet states, seems to be the major constraint to the Mo + N2O reaction. Contrarily, the low-lying excited states (triplet and quintet) do not participate in the reaction between the molybdenum dimer and N2O. The latter reaction fully evolves on the singlet spin surface. Three different regions have been distinguished along the pathway: formation of an adduct complex, formation of an inserted compound, and the N2 detachment. The connection between the two first regions has been characterized by the formation of a special complex in which the N--O bond is so weakened that it could be considered as a first step in the insertion process. It has been shown that the topological changes along the pathways provide a clear explanation for the geometrical changes that occur along the reaction pathway. In summary, the detachment of the N2 molecule is found to be kinetically an effective process for both reactions, owing to the high exothermicity and consequently to the high internal energy of the insertion intermediates. However, in the case of Mo atom, the reaction should be a slow process due to the presence of spin-forbidden transitions. These results fully agree with previous experimental works. 相似文献
110.
Del Vitto A Giordano L Pacchioni G Heiz U 《The journal of physical chemistry. B》2005,109(8):3416-3422
The bonding and vibrational properties of Pd(CO) and Pd(CO)(2) complexes formed at the (100) surface of MgO have been investigated using the gradient-corrected DFT approach and have been compared to the results of infrared and thermal desorption experiments performed on ultrathin MgO films. Two complementary approaches have been used for the calculation of the electronic properties: the embedded cluster method using localized atomic orbital basis sets and supercell periodic calculations using plane waves. The results show that the two methods provide very similar answers, provided that sufficiently large supercells are used. Various regular and defect adsorption sites for the Pd(CO) and Pd(CO)(2) have been considered: terraces, steps, neutral and charged oxygen vacancies (F and F(+) centers), and divacancies. From the comparison of the computed and experimental results, it is concluded that the most likely site where the Pd atoms are stabilized and where carbonyl complexes are formed are the F(+) centers, paramagnetic defects consisting of a single electron trapped in an anion vacancy. 相似文献