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41.
The general features of two series of sol-gel derived materials, designatedurethanesils (Ut), have been investigated by infrared and Raman spectroscopies with the goal of elucidating the chemical environment of
the Eu3+ cations.
The host frameworks of the two families of ormolytes studied have been represented by m-Ut(350) and d-Ut(300), where m stands
for mono, d stands for di, 350 and 300 are the average molecular weights of the organic precursors (poly(ethylene glycol)
methyl ether, PEGME, and poly(ethylene glycol), PEG, respectively).
The hybrid matrix of the mono-xerogels is composed by a siliceous backbone bonded by means of urethane linkages (-NHC (=O)O-)
to pendant methyl end capped oligopolymer chains with approximately 7 oxyethylene units, whereas that of the di-xerogels is
based on a siliceous network grafted through urethane groups to both ends of poly(oxyethylene) segments containing about 6
(OCH2CH2) repeat units.
Both classes of materials have been doped with europium triflate (Eu(CF3SO3)3). The doped samples have been identified by m-Ut(350)nEu(CF3SO3)3 and d-Ut(300)nEu(CF3SO3), where n is the molar ratio of (OCH2CH2) repeat units per Eu3+ ion. Materials with n ranging from ∞ to 5 have been analyzed. The spectral data obtained provide evidence that the cations
begin to coordinate to the ether oxygen atoms of the oligopolymer chains at n=40 in the mono-urethanesils and at n=10 in the
di-urethanesils. In mono-urethanesils samples with n>40 and in di-urethanesils materials with n>10, the Eu3+ coordinate exclusively to the carbonyl oxygen atoms of the urethane linkages.
Paper presented at the 8th EuroConference on Ionics, Carvoeiro, Algarve, Portugal, Sept. 16–22, 2001. 相似文献
42.
R. Arnaldi R. Averbeck K. Banicz J. Castor B. Chaurand C. Cicalo A. Colla P. Cortese S. Damjanovic A. David A. De Falco A. Devaux A. Drees L. Ducroux H. En’yo A. Ferretti M. Floris A. Foerster P. Force N. Guettet A. Guichard H. Gulkanian J. Heuser M. Keil L. Kluberg J. Lozano C. Lourenço F. Manso A. Masoni P. Martins A. Neves H. Ohnishi C. Oppedisano P. Parracho P. Pillot G. Puddu E. Radermacher P. Ramalhete P. Rosinsky E. Scomparin J. Seixas S. Serci R. Shahoyan P. Sonderegger H.J. Specht R. Tieulent G. Usai R. Veenhof H.K. Wöhri 《The European Physical Journal C - Particles and Fields》2007,49(1):235-241
The NA60 experiment at the CERN SPS has studied low-mass muon pairs in 158 A GeV In–In collisions. A strong excess of pairs
is observed above the yield expected from neutral meson decays. The unprecedented sample size close to 400000 events and the
good mass resolution of about 2% made it possible to isolate the excess by subtraction of the decay sources. The shape of
the resulting mass spectrum shows some non-trivial centrality dependence, but is largely consistent with a dominant contribution
from π+π-→ϱ→μ+μ- annihilation. The associated ϱ spectral function exhibits considerable broadening, but essentially no shift in mass. The
pT-differential mass spectra show the excess to be much stronger at low pT than at high pT. The results are compared to theoretical model predictions; they tend to rule out models linking hadron masses directly to
the chiral condensate.
PACS 25.75.-q; 12.38.Mh; 13.85.Qk 相似文献
43.
The convergence of iterative based domain decomposition methods is linked with the absorbing boundary conditions defined on the interface between the sub-domains. For linear elasticity problems, the optimal absorbing boundary conditions are associated with non-local Dirichlet-to-Neumann maps. Most of the methods to approximate these non-local maps are based on a continuous analysis. In this paper, an original algebraic technique based on the computation of local Dirichlet-to-Neumann maps is investigated. Numerical experiments are presented for linear elasticity problems with extreme contrasts in the coefficients. 相似文献
44.
45.
H. Schmid E. Burkhardt E. Walker W. Brixel M. Clin J. -P. Rivera J. -L. Jorda M. François K. Yvon 《Zeitschrift für Physik B Condensed Matter》1988,72(3):305-322
The ferroelastic domains of the orthorhombic phase of YBa2Cu3O7- have been observed in polarized light on ceramics and single crystals. By combining polarized light microscopy with the X-ray precession technique, the correlation of the orientation of the orthorhombica- andb-axes with that of thea-b-plane bireflectance, reflection dichroism, transmission dichroism (at a thickness of about 1m), reflection tints generated with compensators and upon uncrossing of polars, as well as the orientation of etch pits has been realized on ferroelastic single domains, bi-domains and more complicated domain patterns. Four ferroelastic orthorhombic domain states have been identified, at variance with former group theoretical considerations, predicting only two states. Ensembles of lamellar domains beyond optical resolution generate strong bireflectance with principal axes rotated by 45° relative to the truea, b-directions. 相似文献
46.
Carbon Nanotubes in Analytical Sciences 总被引:1,自引:0,他引:1
Arben Merkoçi 《Mikrochimica acta》2006,152(3-4):157-174
47.
Sabbe MK Saeys M Reyniers MF Marin GB Van Speybroeck V Waroquier M 《The journal of physical chemistry. A》2005,109(33):7466-7480
A complete and consistent set of 95 Benson group additive values (GAV) for the standard enthalpy of formation of hydrocarbons and hydrocarbon radicals at 298 K and 1 bar is derived from an extensive and accurate database of 233 ab initio standard enthalpies of formation, calculated at the CBS-QB3 level of theory. The accuracy of the database was further improved by adding newly determined bond additive corrections (BAC) to the CBS-QB3 enthalpies. The mean absolute deviation (MAD) for a training set of 51 hydrocarbons is better than 2 kJ mol(-1). GAVs for 16 hydrocarbon groups, i.e., C(C(d))(3)(C), C-(C(d))(4), C-(C(t))(C(d))(C)(2), C-(C(t))(C(d))(2)(C), C-(C(t))(C(d))(3), C-(C(t))(2)(C)(2), C-(C(t))(2)(C(d))(C), C-(C(t))(2)(C(d))(2), C-(C(t))(3)(C), C-(C(t))(3)(C(d)), C-(C(t))(4), C-(C(b))(C(d))(C)(H), C-(C(b))(C(t))(H)(2), C-(C(b))(C(t))(C)(H), C-(C(b))(C(t))(C)(2), C(d)-(C(b))(C(t)), for 25 hydrocarbon radical groups, and several ring strain corrections (RSC) are determined for the first time. The new parameters significantly extend the applicability of Benson's group additivity method. The extensive database allowed an evaluation of previously proposed methods to account for non-next-nearest neighbor interactions (NNI). Here, a novel consistent scheme is proposed to account for NNIs in radicals. In addition, hydrogen bond increments (HBI) are determined for the calculation of radical standard enthalpies of formation. In particular for resonance stabilized radicals, the HBI method provides an improvement over Benson's group additivity method. 相似文献
48.
49.
Eric Cancès Renaud Keriven François Lodier Andreas Savin 《Theoretical chemistry accounts》2004,111(2-6):373-380
Efficient formulas for computing the probabilities of finding exactly electrons in an arbitrarily chosen volume 3 for Hartree–Fock wavefunctions are presented. These formulas allow the use of shape optimization techniques, such as level set methods, for optimizing with respect to various criteria involving such probabilities. The criterion defined as the difference between the Hartree–Fock and the independent-particle model probabilities of finding electrons in stresses the quantum effects due to the Pauli principle. We have implemented a 2D level set method for optimizing this criterion in order to study spatial separation of electron pairs in linear molecules. The method is described and the illustrative example of the BH molecule is reported.Contribution to the Jacopo Tomasi Honorary Issue 相似文献
50.
A highly flexible method for direct and quantitative determination of surface Br?nsted acidity of solids in terms of number, type and strength of the acid sites based on quantitative H/D exchange kinetics between the acid solid and gaseous D2O has been developed and applied to materials covering the whole range of acidity. 相似文献