生物体系中电子转移机理的研究Ⅱ: 分子间电子转移及 电子供、受体间不同基 团的影响

利用自编程序MOPAC-ET中AM1方法,及KT(Koopman'sTheorem)法,研究了二苯负离子体系的分子间电子转移现象,计算了其电子供、受体在不同距离下的V~A~B及它们之间的相关性,另外,还对两苯环间不同介入基团对电子转移的影响做了初步研究,发现不同的介入基团存在着较大的差异。     

配合物[Cu(CAM)(H2O)2]的水热合成与结构表征

A copper(II) complex [Cu(CAM)(H₂O)₂], (CAM=4-hydroxypyridine-2,6-dicarboxylic acid), has been hydr-othermally synthesized and characterized by elemental analysis, IR, and X-ray diffraction single crystal structure analysis. It belongs to triclinic system, with space group P1, a=0.783 3(3) nm, b=0.796 5(3) nm, c=0.798 6(3) nm, α=100.340(6)°, β=93.768(6)°, γ=109.348(5)°, V=0.458 3(3) nm³, Z=2. The copper(II) ion is 5-coordinated and exhi bits a distorted square pyramidal coordination environment. The two coordinated aqueous molecules and the oxygen atoms from the ligand generate the intermolecular hydrogen bonds, which result in the 2D supramolecular network. CCDC: 227156.     

Synthesis, spectroscopic properties, and tautomerism of mono-meso-substituted octamethylporphyrins

The synthesis spectroscopic properties and tautomerism of four novel mono-meso substituted(R)-octamethylporphyrins (R=o-hydroxybenzyl, p-aminobenzyl, 4-pyridinyl, and ferro-cenyl) were investigated. It was found that the porphyrins 2, 3 could be directly prepared in good yields via the coupling reaction of salicylaldehyde and p-aminobenzyl aldehyde with octamethyl-l',8'-dideoxy-ac-biladiene dihydrobromide, respectively. The free energy of activation (G) of the tautomerism of the porphyrins was calculated and interpreted in terms of electronic and steric nature. In contrast with 2-substituted-5,10,15,20-tetraphenylporphyrins, the substituents in meso position do not change the relative amount of two tautomers a and 6.     

Synthesis,DNA-binding and photocleavage studies of cobalt(III) mixed-ligand complexes

Two novel complex ions [Co(bpy)₂IP]³⁺ and [Co(bpy)₂PIP]³⁺, have been prepared and characterized by EA, mass spectra, u.v.–vis., and cyclic voltammetry. The binding behavior of both complexes to calf thymus DNA (CT-DNA) has been investigated by spectroscopic methods, cyclic voltammetry, and viscosity measurements. The results suggest that both complexes bind to DNA by intercalation. Both promote cleavage of plasmid pBR 322 DNA from the supercoiled Form I to the open circular Form II upon irradiation. Mechanisms for photocleavage are proposed.     

金属有机配合物晶体中二次谐波基团的结构优化及其验证

提出了二次谐波效应的二次极化率矢量模型并介绍该模型的要点、该类型晶体材料的电子结构和分子结构的优化以及综合反映晶体倍频效应的物理量－二次极化强度方均值Ｐ~２（２ω），为探索和研制该类型的晶体材料提供一定的线索。     

碳纳米管激光等离子体的质谱研究

The time-of-flight mass spectra of carbon nanotube plasma produced by laser was first investigated in this paper. We found the hemi-spherical tips of carbon nanotube were easily fragmentated and aggregated into fullerenes between Coo arid C_(174) in high laser fluence.     

A series of (NHC)Pd(N˄O)(OAc) complexes: synthesis,characterization and catalytic activities towards desulfinative Sonogashira coupling of arylsulfonyl hydrazides with arylalkynes

A series of well-defined N-heterocyclic carbene palladium (II) complexes with general formula (NHC)Pd(N^˄O)(OAc) were prepared through reaction of Pd (NHC)(OAc)₂(H₂O) with 1-methyl-1H-pyrazole-3-carboxylic acid or 1-methyl-1H-indazole-3-carboxylic acid in the presence of K₂CO₃. These complexes were then used for desulfinative Sonogashira coupling of arylsulfonyl hydrazides with terminal alkynes. With low catalyst loading, all synthesized palladium compounds exhibited moderate to high catalytic activities for the reactions.     

A Multi-bank E-Payment Protocol Based on Quantum Proxy Blind Signature

International Journal of Theoretical Physics - A new multi-bank E-payment protocol based on quantum multi-proxy blind signature is presented in this paper. In contrast to classical E-payment...     

Synthesis of stagonolide C from Mulzer epoxide

Total synthesis of stagonolide C using chiral pool strategy is described. The two key intermediates were prepared from l-glutamic acid and d-glucono-1,5-lactone, followed by Julia-Lythgoe olefination and Yamaguchi esterification to afford the target compound in an efficient way.     

结冰对风力机叶片影响的数值研究

本文利用商用CFD软件Numeca针对NREL Phase VI风轮结冰前后进行数值计算,计算包含风速由5 m/s至17 m/s区间各典型工况,并对计算结果进行了气动参数和载荷等相关分析。由此得出结论:结冰可以带来最高达51%的功率损失,同时会使风力机提前失速以及提高了启动风速等;结冰会导致在较高风速下叶根挥舞弯矩急剧增大从而增大叶片叶根强度要求;另一方面由叶片沿展向载荷分布得出结冰对整机影响主要集中在大于90%叶展的外侧区域,该区域是除冰防冰系统主要作用区域。