RBa_2Cu_4O_8(R=Dy,Ho,Er,Tm,Yb)和Y_2Ba_4Cu_7O_(14.3)的化学键参数计算

使用复杂晶体上化学键理论计算了 RBa2 Cu4 O8(R=Dy,Ho,Er,Tm ,Yb)和 Y2 Ba4 Cu7O14 .3 的化学键参数 .结果表明 ,Cu O链上的 Cu O键共价性大于它们在 Cu O2 面的共价性 .当金属元素与氧形成五配位时 ,其共价性的数值大于这些元素在六配位时的情形

Determination of 14 rare earth impurities in Y2O3 by petroleum sulfoxide extraction chromatography

Petroleum sulfoxide-NH4SCN extraction chromatography was developed for the separation of Y from other rare earth elements. Some chromatographic parameters were chosen and separation factors between Y and other rare earth elements were determined. A column of resin coated with petroleum sulfoxide was used. The Y in the sample was eluted with NH4SCN, then titrated with EDTA. The recovery was 67%-120% and relative standard deviation +/-4.0%-19.4%. This method can be applied to the determination of trace amounts of rare earth impurities in Y2O3 with a purity of 99.999 9%-99. 999 99%.

H_8[P_4W_(14)O_(58)Na_4(H_2O)_(20)]·16H_2O的合成、晶体结构与性质

用水热法合成了 H8[P4 W14 O58Na4 (H2 O) 2 0 ]· 16 H2 O,通过 X射线单晶衍射、元素分析和IR进行了结构表征 ,用 TG- DTA研究了热稳定性 .晶体属三斜晶系 ,P1空间群 ,a=1.1379(2 )nm,b=1.36 32 (3) nm,c=1.6 2 71(3) nm;α=78.2 0 (3)°,β=71.2 0 (3)°,γ=71.6 2 (3)°;V=2 .2 52 5(8) nm3 ,Z=1,Mr=4 374 .38,Dc=3.2 2 5mg/ cm3 ,μ=18.0 0 7mm-1,F(0 0 0 ) =1972 ,R=0 .0 74 2 ,Rw=0 .2 0 0 4 .标题化合物的阴离子是由两个 PW7O2 9Na2 (H2 O) 10 亚单元通过与两个磷原子上键合的氧连接而成 ,分子内形成了一个 0 .6 6 14nm× 0 .3189nm的微孔.

Sites of protonation and unimolecular fragmentation of protonated N-hydroxyphthalimide in the gas phase

The low energy collision-induced dissociation, linked scan techniques and isotopic labeling experiment were used to investigate the unimolecular fragmentation of protonated N-hydroxyphthalimide under electron impact and chemical ionization conditions. It was found that this compound shows an unusual reactivity towards protonation. Two possible sites of protonation have been proposed to explain the corresponding fragmentation processes, one is that the protonation takes place on the oxygen atom of hydroxyl group, resulting in the loss of water and the other is the formation of an intermediary proton-bound complex in the fragmentation process, giving rise to the fragment ions of m/z 133 and m/z 135. The results show both cases are coexistence in the fragmentations of protonated N-hydroxyphthalimide, and the unimolecular fragmentation pathways are available.

丁腈羟增韧环氧树脂时间-温度-转变固化图

用扭辫分析（ＴＢＡ）的方法研究了端羟基液体丁二烯－丙烯腈共聚物（丁腈羟，ＨＴＢＮ）增韧环氧树脂的固化行为，得到了增韧和未增韧环氧树脂的时间－温度－转变固化图（三Ｔ图，ＴＴＴ图）并进行了比较。这些结果对理解增韧环氧树脂的形态和力学性能以及优化固化条件是很有用的。

La_(1-x)Pr_xP_5O_(14)晶体的发光

Pr~(3+)离子的能级结构丰富,在紫外可见区有很好的荧光发射。因此,以Pr~(3+)为激活离子的发光材料研究工作引起了人们的关注。轻稀土五磷酸盐晶体结构为单斜晶系,空间群为P_(1/2)/C,稀土离子处在隔离的多面体中,离子间的作用减弱,即使在化学计量比的PrP_5O_(14)仍得到激光输出。本文采用水热法生长出La_(1-x)Pr_xP_5O_(14)

蛋白质分子三维结构能量优化途径的选择

NMR方法是研究溶液中蛋白质的三维结构的重要手段，本文以BUSHIIA为例，对用度量矩阵距离几何法获得的初始三维结构进行了能量优化，主要探讨了蛋白质分子三维结构能量优化途径的选择问题．本文把优化过程分为三个阶段，分别采用不同的优化方式，使分子结构得到优化，对于分子量在8000左右的蛋白质而言，本方法能够获得较好符合核磁实验约束条件的分子低能构象.

Kalman滤波法在电感耦合等离子体原子发射光谱分析中的应用 Ⅰ．测定高纯氧化铥中的14种稀土杂质

本文研究了电感耦合等离子体原子发射光谱分析Ｋａｌｍａｎ滤波法测定高纯氧化铥中的１４种其他稀土杂质的方法。Ｋａｌｍａｎ滤波法有效地消除光谱干扰，可利用受干扰的光谱灵敏线，因而可提高灵敏度，是一种在大量基体存在下测定痕量杂质的有效方法。

Kalman滤波法在电感耦合等离子体原子发射光谱分析中的应用──Ⅱ．测定高纯氧化铕中的14种稀土杂质

本文研究了电感耦合等离子体原子发射光谱分析Ｋａｌｍａｎ滤波法测定高纯氧化铕中的１４种其他稀土杂质的方法。Ｋａｌｍａｎ滤波法有效地消除光谱干扰，可利用受干扰的光谱灵敏线，因而可提高灵敏度，是一种在大量基体存在下测定痕量杂质的有效方法。

GdP_5O_（14）晶体的生长与能级测定

本文采用蒸发溶液法生长出高质量的ＧｄＰ＿５Ｏ＿（１４）晶体，测定了其结构属于单斜晶系、空间群Ｐ２＿１／ｃ。用荧光光谱仪实验测定ＧｄＰ＿５Ｏ＿（１４）的激发光谱和发射光谱，并计算了Ｇｄ￣（３＋）在晶体中的能级。

THE CLEAVAGE REACTION OF THE MO-MO TRIPLE BOND - THE CRYSTAL-STRUCTURES OF MOLYBDENUM COMPLEXES [CPMO(CO)(2)(C(5)H(4)NS)], [CPMO(CO)(2)(C(9)H(6)NS)]O=PPH(3) AND [CPMO(CO)(2)(S(2)CNME(2)]

The reactions of [Cp2Mo2(CO)4] (1) with 2,2'-dipyridyl disulphide (C5H4NS-)2, 8,8'-diquinolyl disulphide (C9H6NS-)2 and tetramethyl thiuram disulphide (Me2NC(S)S-)2 in toluene solution resulted in the cleavage of the Mo-Mo triple bond to yield molybdenum complexes [CpMo(CO)2(C5H4NS)] (2), [CpMo(CO)2(C9H6NS)] (3) and [CpMo(CO)2(S2CNMe2)] (4), respectively. The molecular structures of 2, 3 . O=PPh3 and 4 were determined by X-ray diffraction studies. Crystals of 2 are monoclinic, space group P2(1)/n, with Z = 4, in a unit cell of dimensions a = 6.448(1), b = 12.616(2), c = 14.772(2) angstrom, beta = 92.85(1)-degrees. The structure was refined to R = 0.028 and R(w) = 0.039 for 1357 observed reflections. Crystals of 3 . O=PPh3 are triclinic, space group P1BAR, with Z = 2, in a unit cell of dimensions a = 11.351(3), b = 13.409(3), c = 9.895(2) angstrom, alpha = 94.59(2), beta = 90.35(2), gamma = 78.07(2)-degrees. The structure was refined to R = 0.033 and R(w) = 0.037 for 3260 observed reflections. Crystals of 4 are monoclinic, space group P2(1)/a and Z = 4 with a = 12.468(5), b = 7.637(2), c = 13.135(4) angstrom, beta = 96.62(3). The structure was refined to R = 0.032 and R(w) = 0.042 for 1698 observed reflections. Each of complexes 2-4 contains a cyclopentadienyl ligand, a cis pair of carbonyls and a chelate ligand (S,N donor or S,S donor). All the compounds have distorted square-pyramid structures.

Ce_xGd_(1-x)P_5O_(14)晶体的生长及其发光特性的光谱研究

本文采用蒸发溶液法生长出一系列 Ce_xGd_(1-x)P_5O_(14)晶体,测定了它们的结构均属于单斜晶系、空间群 P2_1/c,用稳态和时间分辨荧光光谱法研究了该晶体中不同 Gd 含量时的发光性能,观察到随着(1-x)值增加,包含有 Gd~(3+)发射在内的314nm 峰增强和 Ce~(3+)的荧光寿命的有规律递减,说明了存在着 Ce~(3+)至 Gd~(3+)的能量传递。

水溶性聚合物和两亲聚合物:14.丙烯酰胺/2-丙烯酰胺基十六烷磺酸铵无规共聚物

水溶液中用硫酸亚铁-异丙苯过氧化氢氧化还原引发体系合成了丙烯酰胺(AM)/2-丙烯酰胺基十六烷磺酸铵(AMC_(16)SNH_4)无规共聚物。用元素分析、IR、~(13)C-NMR和~1H-NMR对其进行了表征。对水溶液性质的研究结果表明,与部分水解聚丙烯酰胺相比,这种新型共聚物有着优异的耐盐性、耐温性和贮存稳定性。

LnP_5O_(14)(Ln=La—Tb)晶体的相变和缺陷

本文用X射线衍射方法研究 LnP_5O_(14)(Ln=La,Pr,Nd,Sm,Tb)晶体相变表明,相变是晶轴 c 和α夹角β随温度升高逐渐减小的过程,也就是晶体的畸变角δ随温度下降而增加。相变温度随稀土离子半径由 La 到 Tb 减小呈线性增加,最后讨论了晶体缺陷随温度的变化关系。

电感耦合等离子体原子发射光谱法直接测定高纯氧化铈中14个稀土杂质的研究

本文研究了电感耦合等离子体原子发射光谱直接测定99.95%氧化铈中14种稀土杂质的方法。讨论了基体线和光带对分析线的干扰及扣除、并加入70％乙醇提高灵敏度,方法简单,再现性好,准确度高,得到了满意的结果。