X…H2O（X=Li，Na，K）非线性光学性质的从头算理论

在MP2水平上采用6-311G基组计算了van der Waals复合物X…H2O(X=Li, Na, K)的非线性光学性质(μ, α, β), 讨论了基组效应和电子相关效应对计算结果的贡献. 在MP2/6-311++G(2df, 2pd)水平上计算得到的三个复合物分子X(X=Li, Na, K)•••H2O的非线性光学性质. 结果表明, 三种复合物分子均具有巨大的一阶超极化率, 其中最外层电子的弥散特性对一阶超极化率有很大的影响.     

Chiral Salen Manganese Complex Immobilized on SBA-15： A New Heterogenized Enantioselective Catalyst for the Epoxidation of Alkenes

Jacobsen‘s catalyst was immobilized onto SBA-15 by multi-step grafting, and this heterogenized catalyst exhibited comparable catalytic performance with the corresponding homogeneous counterpart for the epoxidation of alkenes, and the catalyst could be recycled effectively several times.     

Studies on Solid State Reactions of Coordination Compounds（LXXI）──Solid State Reactions of o－Aminobenzoic Acid with Copper（Ⅱ） Acetate and Formate at Room Temperature

ＳｔｕｄｉｅｓｏｎＳｏｌｉｄＳｔａｔｅＲｅａｃｔｉｏｎｓｏｆＣｏｏｒｄｉｎａｔｉｏｎＣｏｍｐｏｕｎｄｓ（ＬＸＸＩ）──ＳｏｌｉｄＳｔａｔｅＲｅａｃｔｉｏｎｓｏｆｏ－ＡｍｉｎｏｂｅｎｚｏｉｃＡｃｉｄｗｉｔｈＣｏｐｐｅｒ（Ⅱ）ＡｃｅｔａｔｅａｎｄＦｏｒｍ...     

新铜试剂—曙红Y萃取光度法测定微量铜

铜(I)-新铜试剂(NCP)-曙红Y(Eosin Y)能形成离子对三元络合物,其络合比为1:2:1。在氯仿中该络合物的λ_(max)=544nm,表观摩尔吸光系数ε=6.83×10~4 L mol~(-1)cm~(-1)。以柠檬酸盐作掩蔽剂,控制水相pH=4.5,相比(水相/氯仿)=2/1,可将络合物定量萃入氯仿中。一般常见的共存离子均不干扰测定,显色稳定性好,线性范围为0～5μg cu/5ml氯仿。方法灵救度高,选择性好。     

Sonochemical Degradation of Polychlorinated Biphenyls in Aqueous Solution

Ultrasonic waves in a liquid induce the formation of cavitation bubbles. Submitted to an oscillating pressure field, cavities filled with vapor and dissolved gas pulsate, grow and implode violently when they reach a critical resonant size. According to the 慼ot spot?theory, extremely high temperature and pressure are produced during the collapse of cavitation bubbles1. Under these extreme conditions, the molecules vaporized in the bubbles as well as in the surrounding condensed layer could …     

硅氧化合物化学蒸气沉积法精细调变沸石分子筛

本文报告了用化学蒸气沉积法精细调变沸石孔径的结果，着重考察了正硅酸乙酯和六甲基硅醚沉积条件的关系。间二甲苯和均三甲苯的吸附动力学实验表明，用Ｓｉ－（ＯＥｔ）４制得的ＳｉＨβ和ＳｉＨＺＳＭ－５上的吸附速率及吸附量明显下降，证实沸石的孔口得到了调变。正己烷的吸附等温线和异丙醇探针反应，沸石孔容和孔道内酸性未受孔口调变的影响。结果还表明Ｓｉ（ＯＥｔ）４未进入沸石孔道，而六甲基硅醚分子则进入Ｈβ沸石孔道，     

SAPO-11分子筛的合成及其晶貌

以二异丙胺或二正丙胺为模板剂用水热合成法合成SAPO-11分子筛,发现pH值及模板剂的种类对所生成的SAPO-11晶体形貌有着明显的影响,通常观察到的球形晶貌实属长形柱体的聚集体。     

Synthesis and magnetic properties of copper(II)-MII-copper(II) trinuclear complexes with N,N′-bis(2-aminoethyl)oxamidocopper(II) [M = Co and Ni]

Summary Two novel trinuclear complexes were prepared, namely [Cu₂(oxae)₂(H₂O)₂M] (ClO₄)₂, [oxae = N,N-bis(2-aminoethyl) oxamido dianion; M = Co and Ni]. Based on elemental analyses, conductivity measurements and i.r. spectra, the complexes are proposed to have extended oxamidobridged structures. The magnetic susceptibility of [Cu₂-(oxae) ₂(H₂O)₂Co](ClO₄)₂ were measured over the 4–300 K range and the observed data were successfully simulated by an equation based on the spin Hamiltonian, =–2J(₁·₂·₂·₃). The exchange integral, J, was found to be equal to –29.2 cm^–1, indicating an antiferromagnetic spin-exchange interaction between the adjacent metal ions.     

软珊瑚Sinularia sp.中次生代谢产物的结构鉴定

细胞毒性;软珊瑚Sinularia sp.中次生代谢产物的结构鉴定