分子筛模型中非骨架离子位置的研究

从理论上研究了非骨架阳离子可能的分布位置．计算了分子筛晶体基本结构单元在整个空间的静电势分布，找出空间中静电势的各个极小点．在静电势最低点逐个放置钠离子，优化，重新计算模型分子筛的电势分布．研究了阳离子放置过程中静电势变化的趋势．     

Studies on fluorescent species of spiro-indolinonaphthooxazines and their fluorescence spectra

Photophysical behavior of spiro[1,3,3-trimethylindolino-2,3′-naphtho[2,1-b]-1,4-oxazine] (SP1) and spiro[1,3,3,2′-tetramethylindolino-2,3′-naphtho[2,1-b]-1,4-oxazine] (SP2) were studied. The fluorescent species and their spectra of SP1 and SP2 in polar solvents (acetonitrile and methanol) and non-polar solvent (cyclohexane) were investigated. The fluorescence decay in polar solvents was studied by picosecond time-correlated single photon counting. In most cases, fluorescence decay obeyed triexponential decay kinetics. The major fluorescent species is an excited intermediate which has similar conformation as its precursor (¹ SP ^*) formed after the bond cleavage between spirocarbon and oxygen in oxazine ring. The effects of molecular structure and solvent polarity on fluorescence spectra and fluorescence decay lifetime were studied.     

邻苯二亚胺纤维素水溶液的荧光行为

目前，用于制造光致发光材料的基材均为合成高分子材料，如聚氯乙烯（ＰＶＣ）等热塑性材料以及不饱和聚酯等热固性材料［１］．天然高分子材料发光性能的研究并不多见．而与合成高分子相比，纤维素的结构特征决定了它易参与化学反应，可用以制备各种用途的功能材料，如高...     

PPC/SBR并用弹性体的配方选择

利用正交法对丁苯橡胶（SBR）／聚丙撑碳酸酯（PPC）共混弹性体进行配方设计，得到了一个具有良好综合性能的配方。并通过方差分析得出PPC含量和马来酸酐（MA）用量是影响弹性体拉伸性能的最显著因素。     

Supramolecular Metal Complex with Ferrocene-conjugated Macrocyclic Triaza Crown Ether as Ligand and Its Electrochemical Property

LigandscontainingelectrochemicallyresponsivecentrearegoodsubjectsforthestUdyofintfamolecularandhost-guestillteraction.Forthisreason,tYemendousamoulltsofsuchligandsandtheircomplexeshavebeensynthesized.'-'AnobservationfromthestudiesofthesecomPlexesisthattheguestionhasapermrbationonthehostcelltre.2'7-9Forexample,itwasdocumelltedthatintroductionofCo(II)ionontoN-ferrocenylmethyl-l,4,7-triazacyclononane(fcmtacn)causesapositiveshiftintheredoxpotentialofferrocenylgroupfromthatofferrocenegroupinfree…     

A Study of Multi-order Semidifferential Oscillographic Chronopotentiometry

ASemiintegralelectroanalysishasbeenimprovedanddevelopedsinceOldhamlwhofirstintroduceditinl972,andiswidelyaPpliedtoseveralkindsofpolarographicanalysis"'suchaslinearsweepvoltammetry,cyclicvoltammetryandanodicstrippingvoltanunetry.Anewfieldinelectroanalysis,neopolarographicmethod,isformed.Thismethodhasmanyadvantages,forexample,highsensitivity,goodresolvingpower,simPlicityofinstrUmentstructureandlowcost.Itissuitableforthestudyoffastanalysisandfastelectrodereaction.Determinationcanbecarriedouteve…     

Molecular structure and spectral properties of thionaphthalimides

The molecular structure and absorption spectra of monothio- and dithio-naphthalimides were compared to their naphthalimide analogues using AM1, PM3 and ZINDO/S semiempirical quantum chemical methods. The substitution of the 4R-naphthalimide oxygen atoms by sulphur atoms resulted in a red-shift of the absorption spectra by Δλ_max60-65 and 100-140 nm, respectively. The thionated naphthalimide derivatives do not show observable fluorescence due to intersystem crossing to the triplet -states localised at the CS groups. The -absorption bands of monothioimides are located at 525-580 nm (ε=60-80) and those for dithioimides at 535-560 nm (ε=140-390) and 628-686 nm (ε=34-68). None of these transitions are solvent sensitive. The -transitions of N-phenylthioimides have also a small contribution from -states due to a partial conjugation between CS group and π-electronic system of the N-phenyl ring. As a result, the bands of aromatic substituted N-phenylthioimides are red-shifted as compared to those of the aliphatic N-methyl-thioimides.     

铜铝水滑石类化合物催化苯酚羟化反应的研究

利用共沉淀法合成了不同Cu/Al比例的铜铝水滑石类化合物, 且利用XRD, IR对此类化合物进行了表征。首次用于催化苯酚羟化反应,并获得了较好的结果, 同时探讨了Cu/Al比例, 反应温度, 反应介质及介质的pH值对反应活性的影响。初步提出了反应机理。     

纳秒激光闪光光解装置功能扩展──有机非线性材料二阶非线性系数测定

纳秒级激光闪光光解装置可用于有机光化学、光物理过程，瞬态发光和吸收的动力学过程的研究，在不改变原装置整体布局和结构的基础上，建立了有机非线性光学材料的二阶非线性系数测定方法，并为国家８６３专家委员会承担过仲裁测定。     

聚中性红膜修饰电极的电化学特性及其电催化性能

研究了中性红在玻碳电极表面电聚合成膜的方法和条件，对膜内电荷传输过程和电化学特性分别用循环伏安技术和电位阶跃暂态技术进行了初步探讨。该膜对维生素Ｃ和亚硝酸盐有较强的电催化作用，催化电流与底物浓度在很宽的范围内呈线性关系，可用于实际样品的分析。