ZnTPP Axially Coordinated with a Novel Dipyridylamine Ligand: Hydrothermal Synthesis and Crystal Structure

A novel complex ZnTPPL1·3DMF 1(TPP = tetraphenylporphyrin,L1 = N-(4-(9-carbazolyl) phenyl)-N,N-di(4-pyridyl)amine) was prepared by a hydrothermal method and characterized by elemental analysis,IR,and single-crystal X-ray diffraction analysis.Compound 1 crystallizes in triclinic,space group P1 with a = 13.3082(2),b = 14.3276(2),c = 18.6120(3) ,α = 109.853(1),β = 95.054(1),γ = 98.832(1)°,V = 3260.57(9) 3,Z = 2,Dc = 1.334 g/cm3,C81H69N11O3Zn,Mr = 1309.84,μ(MoKα) = 0.438 mm-1,F(000) = 1372,GOF = 1.159,the final R = 0.0482 and wR = 0.1479 for 12091 observed reflections(Ⅰ 2σ(Ⅰ)).Crystal structure analyses revealed that L1 utilizes one pyridyl N atom to bind Zn via axial coordination,affording a 1:1 complex.The binding constant was estimated to be 1.74(7) × 104 M-1 from electronic spectra measurements.     

KLn Dielectronic Recombination Process of B- Through He-like Cu Ions

The KLn dielectronic recombination processes of trapped highly charged B-like through He-like Cu ions are studied theoretically, and the theoretical results are used to analyse our previous experimental data at Heidelberg electron beam ion trap （EBIT）. The theoretical resonant positions agree with the experimental resonant positions to a precision of 0.4%, in comparison with the resonant positions of those highest peaks between theory and experiment. The experimental spectra are then fitted using a formula with the theoretical resonant energies and strengths, the result shows good overall agreement between theory and experiment over a wide electron energy range. The distribution of highly charged states is obtained from the fitting parameters.     

‘Whole-molecule Disorder’ Refinement of 4-（4-Hydroxybenzylideneiminio）phenol Hemichloride Hemihydroxide

The two independent cations of the salt, [HO-C6H4-CH=NH-C6H4-OH]·1/2OH·1/2Cl, are both disordered about an axis connecting the two oxygen atoms at the para-positions of the aromatic rings, the disorder being in a 83:17 ratio in one cation and 91:9 in the other. The hydroxide and chloride anions are ordered. The treatment of the nearly ‘whole-molecule disorder’ by employing a small number of restraints is described. Crystal data: C13H12.5Cl0.5NO2.5, triclinic, P , a = 9.1731(4), b = 9.2048(4), c = 15.9144(7) , α = 104.822(1), β = 90.077(1), γ = 118.641(1)o and V = 1127.86(9) 3 at –173 K.     

一个用于肿瘤研究中灌流和扩散成像参数分析的应用软件

A software package has been developed to process perfusion, relaxation times and diffusion MRI dat a acquired in cancer research. This software package was written on MATLAB platf orm (Version 6.0). Parameter maps, such as permeability, apparent diffusion coef ficient and T₁ were generated from original MRI data. The features of para metric analysis include ROI analysis, contrast adjust, statistical information generat ion, false color image and zoom in display. Since it was written in Matlab fun ct ions, this package can be used on almost all operation systems (Microsoft window s, Unix, Mac OS & Linux) and it is easy to expand the features.     

COUPLED VIBRATION OF STRUCTURAL THIN-WALLED CORES

This paper presents an analysis of the coupled vibration of asymmetric core structures in tall buildings. The governing equation of free vibration and its corresponding eigenvalue problem, which is a set of equations for laterally flexural vibrations in two different directions coupled by a warping-St. Venant torsional vibration, are derived. Based on the Calerkin method, a generalized approximate method is developed for the analysis of coupled vibration and thus proposed for determining the natural frequencies and mode shapes of the structure in triply-coupled vibration. The results of the proposed method for the example structure show good agreement with those of the FEM analysis. The proposed method has been shown to provide a simple and rapid, yet accurate, means for coupled vibration analysis of core structures.     

Isolation and Spectroscopic Characterization of Protonated Mixed [Tetrakis (4-pyridyl)porphyrinato] (phthalocyaninato)Rare Earth (Ⅲ)Double-decker Compounds

IntroductionThe homoleptic sandwich~type porphyrinato and phthalocyaninato metal complexesRE (P) z and RE2 (P) 3 (RE =rare earth 1 P = Por or Pc) have been intensively studied over sev-eral decades due to their potential application in non-linear optical (NLO) materials, molecu-lar electronic and magnetic ..te.i.l.L1--l6j.The double-deckers have also aroused a growing interest as structural and spectroscopicsynthetic models for the dimmer of bacteriochlorophyl1 molecules in bacterial pho…     

The solvent effect on polar compounds containing acidic hydrogens

The effect of aromatic and non-aromatic solvents on the proton chemical shifts of 23 polar compounds has been determined. The protons which are activated by electron-withdrawing groups show large highfield shifts in benzene (relative to the isotropic solvents). Based on evidence provided by infrared data, the highfield shifts of the acidic protons in benzene solution are interpreted in terms of a model involving C? Hπ hydrogen bonding. This model successfully interprets the data reported previously for steroidal ketones. The same model can be extended to benzene solutions of other polar compounds containing strongly electron-deficient sites to which alkyl groups are attached. It is observed that the use of CCl₄ as a reference solvent in studies of benzene induced shifts may have greater significance, since these two solvents have similar dielectric constants.     

STRUCTURE-BORNE NOISE AND VIBRATION OF CONCRETE BOX STRUCTURE AND RAIL VIADUCT

In this study, the vibration and acoustic resonance, and dominant frequency range of simple concrete box and viaduct are examined from the measurement results. A narrow band analysis—fast Fourier transform (FFT) method is used to analyze the measurement results and finite element method (FEM) is used to validate resonance frequencies for noise and vibration. The experiment of the concrete box structure is a preliminary study of analyzing resonance frequency radiated from the vibrating concrete structure since railway viaduct is a concrete box structure too. According to their noise and vibration spectra, it shows that the vibration resonance is more significant than the acoustics resonance.Based on the measurement results of the rail viaduct structure-borne noise and vibration, the relationship in terms of transfer function and coherence between noise and vibration are evaluated. They show that the dominant frequency range for noise and vibration of concrete viaduct is between 20 and 157 Hz, the resonance frequencies are 43 and 54 Hz and have significant tonal noise characteristics. The experimental results are in good agreement with the theoretical relationship between sound and vibration.     

On Chiral Space Groups and Chiral Molecules

This note explains the relationship (as well as the absence of a relationship) between chiral space groups and chiral molecules (which have absolute configurations).For a chiral molecule,which must crystallize in a chiral space group,the outcome of the absolute configuration determination must be linked to some other properties of the chiral crystal such as its optical activity for the observation to the relevant.