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71.
Haverkort MW Hu Z Tanaka A Ghiringhelli G Roth H Cwik M Lorenz T Schüssler-Langeheine C Streltsov SV Mylnikova AS Anisimov VI de Nadai C Brookes NB Hsieh HH Lin HJ Chen CT Mizokawa T Taguchi Y Tokura Y Khomskii DI Tjeng LH 《Physical review letters》2005,94(5):056401
Utilizing a sum rule in a spin-resolved photoelectron spectroscopic experiment with circularly polarized light, we show that the orbital moment in LaTiO3 is strongly reduced from its ionic value, both below and above the Ne el temperature. Using Ti L2,3 x-ray absorption spectroscopy as a local probe, we found that the crystal-field splitting in the t2g subshell is about 0.12-0.30 eV. This large splitting does not facilitate the formation of an orbital liquid. 相似文献
72.
Busacca CA Grossbach D Campbell SJ Dong Y Eriksson MC Harris RE Jones PJ Kim JY Lorenz JC McKellop KB O'Brien EM Qiu F Simpson RD Smith L So RC Spinelli EM Vitous J Zavattaro C 《The Journal of organic chemistry》2004,69(16):5187-5195
The Boehringer-Ingelheim phosphinoimidazoline (BIPI) ligands were applied to the formation of chiral quaternary centers in the asymmetric Heck reaction. Several different substrates were examined in detail, using more than 70 members of this new ligand class. Hammett relationships were determined through systematic variation of the ligand electronics. All substrates showed essentially the same Hammett behavior, where enantioselectivity increased as the ligands were made more electron-deficient. Ligand optimization has led to catalysts which give the highest enantioselectivities reported to date for these difficult systems. 相似文献
73.
The intermittent route to spatiotemporal complexity is analyzed in simple models which display a subcritical bifurcation without hysteresis. A new type of spatiotemporal complex behavior is found, induced by fronts which "clean" the perturbations around an unstable state. The mechanism which generates these "retracting fronts" through nonlinear dispersion is analyzed in the frame of the complex Ginzburg-Landau equation. For sufficiently strong nonlinear dispersion the effects also occur for a supercritical bifurcation. 相似文献
74.
Field-induced reentrant novel phase and a ferroelectric-magnetic order coupling in HoMnO3 总被引:1,自引:0,他引:1
A reentrant novel phase is observed in the hexagonal ferroelectric HoMnO3 in the presence of magnetic fields in the temperature range defined by a plateau of the dielectric constant anomaly. The plateau evolves with fields from a narrow dielectric peak at the Mn-spin rotation transition at 32.8 K in zero field. The anomaly appears both as a function of temperature and as a function of magnetic field without detectable hysteresis. This is attributed to the indirect coupling between the ferroelectric (FE) and antiferromagnetic (AFM) orders, arising from an FE-AFM domain wall effect. 相似文献
75.
Park B Lorenz CD Chandross M Stevens MJ Grest GS Borodin OA 《Langmuir : the ACS journal of surfaces and colloids》2004,20(23):10007-10014
The frictional dynamics of fluorine-terminated alkanethiol (S(CH2)8CF3) self-assembled monolayers (SAMs) on gold are studied using molecular dynamics simulations. The simulations treat the interactions between two SAMs on flat surfaces. The structure and frictional behavior are investigated as a function of applied pressure (200 MPa to 1 GPa) for a shear velocity of 2 m/s and compared to methyl-terminated alkanethiol SAMs. The maximum adhesive pressure between the SAMs is 220 MPa for both end groups. In agreement with experiments on the molecular scale, the shear stress and the coefficient of friction for CF3-terminated alkanethiols are larger than for CH3-terminated alkanethiols. The main source for the difference is primarily the tighter packing of the fluorinated terminal group resulting in a higher degree of order. The molecular scale coefficient of friction is correlated with the degree of order among all the systems. 相似文献
76.
Using neon and its dimer as a specific example, it is shown that excited Auger decay channels that are electronically stable in the isolated monomer can relax in a cluster by electron emission. The decay mechanism, leading to the formation of a tricationic cluster, is based on an efficient energy-transfer process from the excited, dicationic monomer to a neighbor. The decay is ultrafast and expected to be relevant to numerous physical phenomena involving core holes in clusters and other forms of spatially extended atomic and molecular matter. 相似文献
77.
Pathak Madhvesh Bohra Rakesh Mehrotra Ram C. Lorenz Ingo-Peter Piotrowski Holger 《Transition Metal Chemistry》2003,28(2):187-192
Reactions of cis-dialkoxy-bis(acetylacetonato)titanium(IV), [(acac)2Ti(OR)2] (R = Et, Pr
i
) with alkoxyalkanols (ROCH2CH2OH) (R = Me, Et, n-Bu) in 1:1 and 1:2 molar ratios in refluxing benzene under anhydrous conditions yield [(acac)2Ti(OR)2–n
(OCH2CH2OR)
n
] (n = 1 or 2) complexes, which were purified by distillation under reduced pressure. On the basis of i.r. and n.m.r. (1H- and 13C-) spectral studies, a cis-octahedral environment around TiIV is proposed. On keeping the distilled dark brown-red viscous liquid [(acac)2Ti(OEt)(OCH2CH2OBu)] for 2 weeks, orange yellow crystals of [(acac)2TiO]2 were obtained. A single crystal X-ray diffraction study suggests the product is a new modification of [(acac)2TiO]2. 相似文献
78.
In this contribution, simple methods are presented for controlling a simulated moving bed (SMB) chromatographic process with standard PI (proportional integral) controllers. The first method represents a simple and model-free inferential control scheme which was motivated from common distillation column control. The SMB unit is equipped with UV detectors. The UV signals in the four separation zones of the unit are fixed by four corresponding PI controllers calculating the ratio of liquid and solid flow in the respective separation zone. In order to be able to adjust the product purity a second, model-based control scheme is proposed. It makes use of the nonlinear wave propagation phenomena in the apparatus. The controlled chromatographic unit is automatically working with minimum solvent consumption and maximum feed throughput--without any numerical optimization calculations. This control algorithm can therefore also be applied for fast optimization of SMB processes. 相似文献
79.
80.
Steady, nonpropagating, fronts in reaction diffusion systems usually exist only for special sets of control parameters. When varying one control parameter, the front velocity may become zero only at isolated values (where the Maxwell condition is satisfied, for potential systems). The experimental observation of fronts with a zero velocity over a finite interval of parameters, e.g., in catalytic experiments [Barelko et al., Chem. Eng. Sci., 33, 805 (1978)], therefore, seems paradoxical. We show that the velocity dependence on the control parameter may be such that velocity is very small over a finite interval, and much larger outside. This happens in a class of reaction diffusion systems with two components, with the extra assumptions that (i) the two diffusion coefficients are very different, and that (ii) the slowly diffusing variables has two stable states over a control parameter range. The ratio of the two velocity scales vanishes when the smallest diffusion coefficient goes to zero. A complete study of the effect is carried out in a model of catalytic reaction. (c) 2000 American Institute of Physics. 相似文献