反-1,2-双 二唑基取代环丙烷的合成与环丙烷环的不饱和性

本文合成了一个新的反-1,2-双芳杂环取代的环丙烷类化合物─反-1,2-双-2'-[5'-(对乙基苯基-1',3',4'- 二唑基)]环丙烷(Et-BDCP), 研究了其紫外吸收光谱及其荧光激发与发射光谱, 并通过与Et-BPDS, Et-BPDE和Et-PDDDP光谱性质的比较; 以及用MNDO方法对模型化合物(1-8)所进行了模拟量子化学计算, 证明了环丙烷环可以在某种程度上与不饱和体系共轭。     

柏木油中倍半萜烃的乙酰化反应

70%高氯酸可作为柏木油中倍半萜烃进行乙酰化反应的第二催化剂组分,用以代替部分PPA。反应在常温下进行,乙酰化产物的产率和质量与原方法相当。该方法不仅节省PPA而且也减少乙酸酐的消耗,降低原料成本20%左右。     

10-烃基吖啶酮的非线性光学活性研究

随着激光技术应用的发展,非线性光学材料的研究不断深人［'j,目前倍频效应和短的截止波长的倍频材料是二阶非线性光学有机材料研究的热点之一L'．现有的非线性光学有机材料,如偶氮苯、共轭烯烃与SChiff碱等类化合物,因分子具有较大的共轭长度使其吸收多处于可见光区,不适合于半导体激光等向蓝紫激光倍频"·"．0'（暖酮含有大。共轭结构,分子两端同时连有吸电子基团。X一0）和推电子基团（＞N-R）而发生分子内的电荷转移,使分子具有非线性光学活性"－·这类化合物结构简单,并有很好的光稳定性,且该类化合物最大紫外吸收在385～40…     

手性Schiff Base-Ti(OR)4配合物催化醛的不对称硅腈化反应

设计合成了新型手性Salen-Ti(OR)₄配合物催化剂,用其催化一系列醛的不对称硅腈化反应,得到了e.e.值为22.4%～87.1%的氰醇.催化剂中抗衡离子的Lewis碱强烈地影响催化活性,但对反应的对映选择性影响很小,并探讨了其不对称催化反应机理.     

Analytic Calculation of Arbitrary Matrix Elements for Boson Exponential Quadratic Operators

By means of the transformation relation between the ordinary form of boson exponential quadratic operators (BEQO) and its anti-normal product form, we present an effective method to conveniently calculate arbitrary matrix elements of BEQO. By this method, many important matrix elements can be calculated analytically. As a direct application, we obtain the exact solutions of the density matrix and partition function for general boson quadratic Hamiltonian without any information about the energy level.     

Synthesis and Spectroscopic Characterization of Transition Metal Complexes of Maleionitriledithiolate and 5-Nitro-Phenanthroline

The dithiolenes and diimines and their metal complexes are an important research field in the organic and coordination chemistry^[1-3]. Transition metal complexes of a dithiolene and a diimine have excellent electronic functions due to the intramolecular charge transfer from a ligand to other ligand (LL'CT)^[3], in which are interested authors^[4,5]. Recently we have been studied in detail the synthesis and properties of the title complexes M(mnt)(5-NO₂-phen), M=Mn^Ⅱ, Fe^Ⅱ, Co^Ⅱ, Ni^Ⅱ, Cu^Ⅱ, Zn^Ⅱ. The structure and properties of the M(mnt)(5-NO₂-phen) were characterized by the elemental analysis, TDA-TG, MASS, IR, UV-Vis, fluorescence and EPR spectra,molar conductivity and magnetic susceptibility. In the present abstract we report only the synthesis and spectroscopic characterization of these complexes.     

NaBH4/BiCl3复合体系还原芳香硝基化合物为氧化偶氮苯及其类似物

NaBH4/BiCl3复合体系在甲醇介质中对硝基化合物进行部分还原,可以获得相应的氧化偶氮苯类化合物。实验中发现此反应与反应底物的Hammett常数有着密切的关系。     

β-烷氧羰基乙基三氯化锡配合物的合成、结构表征及酯交换反应

合成了13个标题化合物ROCOCH2CH2SnCl3.L (R=C1-5烷基;L=DBSO, HMPA), 通过元素分析、IR和1H NMR进行了表征。n-PrOCOCH2CH2SnCl3.DBSO的晶体结构分析表明, 该晶体属正交晶系; 空间群P212121; a=1.062, b=1.427, c=1.635; Z=4。该化合物为含有分子内羰基配位和Lewis碱配位的具有畸变八面体构型的单分子有机锡化合物。研究了CH3OCOCH2CH2SnCl3.L和醇的酯交换反应, 提出了分子内Lewis酸催化的反应机理。     

79Kr高自旋超形变的观测

通过５５Ｍｎ（３０Ｓｉ,αｐｎ）反应布居了７９Ｋｒ的高自旋态．用ＧＡＳＰ阵列配以由４０个ΔＥ×ＥＳｉ（Ａｕ）望远镜所组成的带电粒子球实现γγγ－带电粒子符合测量．观测到由相对强度为（２．７±０．３）％的８条级联γ跃迁所组成的７９Ｋｒ高自旋超形变转动带．除了在转动频率ω＞０．９５ＭｅＶ处急剧下降外,该带的动力学转动惯量近乎常数（22ñ2／ＭｅＶ）并被解释为具有四极形变参数β２＝０．５１以及本征侵入组态为π５０ν５１． High-spinstates in 79Kr were populated via the fusion evaporation reaction 55Mn (30Si,αpn)at 130 MeV.Promptγ γγ charged particle coincidences were measured by using the GASP array in conjunction with the ΔE×E Si(Au) charged particle ball.Asu perdeformed band consisting of 8 γ ray transitions with an intensity of (2.7±0.3)% has been indentified in 79Kr.The dynamic moment of inertia for the band is nearly constant at approxately 22ñ2/MeV below arotational frequency of 0.95 MeV...     

吡啶甲酸分子平衡构型的ab initio理论研究

本文用能量梯度法TEXAS从头计算程序,选取4-21G(,N原子含极化d轨道)基组,对α-,β-吡啶甲酸分子的平衡几何构型进行了全优化计算,二套基组的理论优化表明,三个吡啶甲酸分子都具有平面的平衡构型,其计算键长经4-21G 基组的标准经验校正值校正后,所得的理论预测平衡几何构型与X射线单晶衍射实验结果有很好的一致性.对部分键长以及羧基与吡啶华平面的二面角中出现的差异进行了讨论.