查尔酮类共轭体系电子光谱及线性关系的MHMO法计算

对查尔酮类共轭体系的电子光谱,CNDO/2计算及线性关系文献中已作了全面报道。本文用林惠心等在徐光宪改进的HMO法基础上提出的改进HMO法(即MHMO法),对查尔酮类共轭体系进行了计算,结果λ_计和λ_实基本一致,线性关系良好。     

Bergman空间上Toeplitz算子的局部化

Bergman空间上Toeplitz算子的局部化@孙善利@卢玉峰...     

光谱法研究葛根素与牛血清白蛋白的相互作用

采用紫外、同步荧光和圆二色光谱法研究了葛根素（PUE）与牛血清白蛋白（BSA）的相互作用.紫外光谱表明,BSA在230nm和278nm处的吸收峰,随着葛根素浓度的增加而减小.同步荧光光谱表明,葛根素引起BSA中色氨酸残基所处微环境的疏水性降低.圆二色光谱表明,BSA在208nm和222nm处的负峰随着葛根素浓度的增加而增强,BSA中α-螺旋含量也随之增加.这表明葛根素与BSA的相互作用,可使蛋白质分子的疏水作用增强,导致BSA的肽链结构收缩,蛋白质的构象发生变化.     

Spectroscopic Studies of Chemical Reactions in Strong Shock Waves

Shock tube provides a promising tool of studying high temperature chemical reaction in gases. The heating by shock wave is uniform, extremely fast and intense. So that the temperature may rise thousands of degrees in a fraction of a second. Observations of the effects of this heating on C₆H₆ has shown extensive decomposition into C₂ and CN.     

Raman Study of InCl3

Abstract

The Raman spectra of a crystalline powder of InCl₃ and of a de-ionized water solution show the presence of four bands at 300.0, 289.2, 115.6 and 87.1 cm^?1, thus suggesting that InCl₃ is not a perfectly planar molecule.     

A High Resolution Study of the Shock Excited Spectrum of Yttrium Oxide

Abstract

The blue-green (B²? X²?) and orange (A²? –X²?) systems of yttrium oxide have been shock excited at temperatures of about 4000°K and photographed at high dispersion (～ 1.2Å/mm) in the first order of a 21 ft. grating spectrograph. The high dispersion shock excited spectra were recorded using multiple exposures and latensification of extremely high speed film. Over 50 new bands have been observed and assigned to specific vibrational transitions for the systems. New molecular constants have been derived from the A, B and X states. Provisional calculations have been made of Franck-Condon factors and r-centroids for the systems appropriate to new constants.     

Spectral Assignments and Structural Consequences Arising from the C-H Stretching Region of Norbornadiene

Preliminary vibrational analysis of this bicyclic moiety clearly shows the presence of Fermi Resonance phenomena. The alternative to this assignment is shown to be contradictory to both electron diffraction results and to the vibrational data, presented in this paper. Of primary interest is the implications that these spectral results could have for further studies involving classical and non-classical carbonium ion structures.     

Vibrational Assignment of N-Phenylphthalimide and 15N-Phenylphthalimide

Abstract

The i.r. spectra of N-phenylphthalimide and ¹⁵N-phenylphthalimide have been measured in 4000–100 cm^?1 frequency range as KBr and polyethylene pellets and as chloroform solutions. The Raman spectra (4000–50) cm^?1 of microcrystalline powder of the of the same compounds have also been investigated.

A detailed assignment of most of the observed frequencies has been proposed on the basis of the group vibrational concept, isotopic shift data and analogies with the spectra of related molecules. Some literature data have been discussed and some frequencies are reassigned.     

Main eigenvalues and automorphisms of a graph

We study some aspects of the relationship between algebras associated with graphs and automorphism groups. We study an algebra generated by the adjacent matrix of a graph and the all ones matrix, and derive a lower bound for the rank of the automorphism group of a graph. If a graph attains the equality in the above bound, it is calledextremal. We also describe some properties and examples of extremal graphs.     

Synthesis, Crystal Structure and Properties of the Binuclear Complex [Sm2(C10H9N2O4)2(C10H8N2O4)2(H2O)4]

Abstract  A novel binuclear Smarium (III) complex with N-(2-propionic acid)-salicyloyl hydrazone (C₁₀H₁₀N₂O₄, H₃L) was prepared and characterized. The crystal structure of [Sm₂(H₂L)₂(HL)₂(H₂O)₄] (1) was determined by X-ray single crystal diffractometry. 1 crystallizes in the monoclinic systerm, space group P2(1)/c, with a = 0.10229(2), c = 31.549(7), b = 0.70599(15) nm, and Z = 4. In the structure, Sm(III) is nine-coordinated by carboxyl O and acyl O atoms and imido N atoms of two ligands (H₂L and HL forms) and O atoms from two water molecules. H₂L and HL act as tridentate ligands which form two stable five-numbered chelating rings sharing one edge in the keto form for each ligand, and the carboxyl groups of two ligands were coordinated via bidentated bridging form. The coordination polyhedron around Sm (III) was described as a monocapped square antiprism. The inter- and intramolecular hydrogen bonds resulted in a three-dimensional network and provided extra stability for the structure. The complex was researched the interaction with calf thymus DNA by electronic absorption titration and emission titration. The results show that the complex is bound to calf thymus DNA mainly by intercalation .The complex also shows good fluorescence property. Index Abstract  The title compound, [Sm₂(H₂L)₂(HL)₂(H₂O)₄] was synthesized by the treatment of N-(2-propionic acid)-salicyloyl hydrazone (C₁₀H₁₀N₂O₄, H₃L) and Sm(NO₃) · 4H₂O and its crystal structure determined. Single crystal X-ray diffraction analysis reveals that Sm (III) is nine-coordinated by carboxyl O and acyl O atoms and imido N atoms of two ligands (H₂L and HL forms) and O atoms from two water molecules. The carboxyl groups of two ligands were coordinated via bidentated bridging form. The coordination polyhedron around Sm (III) was described as a monocapped square antiprism. The inter- and intramolecular hydrogen bonds resulted in a three-dimensional network and provided extra stability for the structure.