Schiff碱水杨醛苯甲酰腙的特性

研究了 Schiff碱水杨醛苯甲酰腙 (简称 SBH)晶体在 DMSO及其 DMSO- H2 O的混合溶剂中的红外光谱 ,通过 SBH氘代前后的 IR对比发现 ,羟基氢质子与混合溶剂 DMSO- H2 O(3∶ 1 ,V/ V)产生较大的相互作用。向溶有 SBH的 75 % DMSO- 2 5 % H2 O的溶液滴加 KOH发现 ,SBH分子上的 C O羰基基团先与 KOH作用 ,其后与 O H 羟基基团作用     

Influence of temperature on phosphorescence spectra of Pd-porphine in Shpol’skii matrices

We have studied the temperature dependence of the radiative deactivation of the Pd-porphine triplet states in Shpol’skii matrices in the temperature range 1.2–210 K. A substantial transformation of the phosphorescence spectra is observed as the temperature increases and is due to the inclusion of thermally activated Pd-porphine states in the radiative deactivation processes. The activation energy E_a of these Pd-porphine states is measured in matrices of n-octane and n-nonane. The splitting of the lowest quasidegenerate triplet state ΔE(T₂−T₁) is determined for planar and distorted conformations of the Pd-porphine macrocycle in the n-octane matrix as 40 and 57 cm⁻¹, respectively. The ability to use the temperature dependence of the phosphorescence properties of Pd-porphine to fabricate molecular thermometers for the low-temperature range is analyzed. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 4, pp. 460–464, July–August, 2007.     

Infrared facility at the Canadian light source

The Canadian Light Source (CLS) is constructing two beamlines for Infrared Spectroscopy using synchrotron radiation (IRSR). One will supply mid-Infrared (2–25 μ) light to a Fourier Transform Infrared (FTIR) spectrometer and microscope for biological applications. The second will have a high resolution FTIR spectrometer for gas-phase and surface spectroscopy in the far-Infrared (beyond 25 μ). The Infrared beamlines will use dipole bending magnet radiation from a special bend magnet port design which provides a 50 mrad square acceptance. Issues with the first mirror and photon mask design, as well as the beamline layout and features are discussed.     

<Emphasis Type="Italic">L</Emphasis><Subscript>1</Subscript> linear interpolator for missing values in time series

We propose a minimum mean absolute error linear interpolator (MMAELI), based on theL ₁ approach. A linear functional of the observed time series due to non-normal innovations is derived. The solution equation for the coefficients of this linear functional is established in terms of the innovation series. It is found that information implied in the innovation series is useful for the interpolation of missing values. The MMAELIs of the AR(1) model with innovations following mixed normal andt distributions are studied in detail. The MMAELI also approximates the minimum mean squared error linear interpolator (MMSELI) well in mean squared error but outperforms the MMSELI in mean absolute error. An application to a real series is presented. Extensions to the general ARMA model and other time series models are discussed. This research was supported by a CityU Research Grant and Natural Science Foundation of China.     

Functional Quantization and Small Ball Probabilities for Gaussian Processes

Quantization consists in studying the L ^r -error induced by the approximation of a random vector X by a vector (quantized version) taking a finite number n of values. We investigate this problem for Gaussian random vectors in an infinite dimensional Banach space and in particular, for Gaussian processes. A precise link proved by Fehringer⁽⁴⁾ and Dereich et al. ⁽³⁾ relates lower and upper bounds for small ball probabilities with upper and lower bounds for the quantization error, respectively. We establish a complete relationship by showing that the same holds for the direction from the quantization error to small ball probabilities. This allows us to compute the exact rate of convergence to zero of the minimal L ^r -quantization error from logarithmic small ball asymptotics and vice versa.     

Five-step phase-shifting algorithms with unknown values of phase shift

The presented work offers new algorithms for phase evaluation in interferometric measurements. Several phase-shifting algorithms with an arbitrary but constant phase-shift between captured intensity frames are proposed. These phase calculation algorithms need to measure five frames of the intensity of the interference field. The algorithms are similarly derived as so called Carré algorithm. The phase evaluation process then does not depend on the linear phase shift errors. Furthermore, the detailed analysis of the algorithms with respect to most important factors, which affect interferometric measurements, is carried out. It is also studied the dependency of the evaluation algorithms on the phase shift values, and the proposed phase calculation algorithms are compared with respect to the resulting phase errors. The influence of most important factors in the measurement and evaluation process was simulated as systematic and random errors using a proposed mathematical model.     

Sobolev bounds on functions with scattered zeros, with applications to radial basis function surface fitting

In this paper we discuss Sobolev bounds on functions that vanish at scattered points in a bounded, Lipschitz domain that satisfies a uniform interior cone condition. The Sobolev spaces involved may have fractional as well as integer order. We then apply these results to obtain estimates for continuous and discrete least squares surface fits via radial basis functions (RBFs). These estimates include situations in which the target function does not belong to the native space of the RBF.

     

A posteriori H1 error estimation for a singularly perturbed reaction diffusion problem on anisotropic meshes

The paper deals with a singularly perturbed reaction diffusionmodel problem. The focus is on reliable a posteriori error estimatorsfor the H¹ seminorm that can be applied to anisotropic finiteelement meshes. A residual error estimator and a local problemerror estimator are proposed and rigorously analysed. They arelocally equivalent, and both bound the error reliably. Threemodifications of these estimators are introduced and discussed. Much attention is given to the performance of the error estimatorin numerical experiments. This helps to identify those estimatorsthat are suitable for practical applications.     

“矩阵有理插值及其误差公式”一文的注

本文对文[1]中所给出的错误的误差公式做了修订,并给出了相应的证明。     

Ground state parameters of BiH3 from infrared and millimeter-wave spectra: ground state and equilibrium structures

Unstable, short-lived BiH₃ has been synthesized and investigated by rotational spectroscopy in the range 158 (J=1-0) to 1280 GHz (J=8-7). Quadrupole and spin-rotation hyperfine structures (eQq=584.676(96) MHz), and the A₁A₂ splitting of the K=3 ground state level, have been resolved. By merging the pure rotational data with 1764 ground state combination differences obtained from the analysis of high resolution Fourier transform infrared spectra of the ν₁-ν₄ bands [J. Mol. Spectrosc. (2004) (in press)] spanning J and K values up to 16 and 14, respectively, with 0?ΔK?9, the ground state rotational and centrifugal distortion constants up to octic and sextic terms for reductions A and B, respectively, have been determined. Of the reductions of the ground state rovibrational Hamiltonian, reduction B including ε rather than h₃ as off-diagonal element is clearly favored. An experimental r₀ structure of the very-near spherical oblate symmetric top BiH₃, r(BiH)=178.82 pm and α(HBiH)=90.320°, has been deduced from the rotational constants B₀=2.64160172(18) and C₀=2.6010403(31) cm⁻¹. The derived experimental r_e structure, r_e(BiH)=177.834(50) pm and α_e(HBiH)=90.321(10)°, was determined. This is in excellent agreement with the most recent ab initio structure, r_e(BiH)=177.84 pm, and α_e(HBiH)=90.12°.