新化合物阴行草醇的NMR研究

我们从植物阴行草中提取分离到一种新的化合物(1),并将其命名为阴行草醇。利用核磁共振技术辅以其它波谱数据准确无误地确定了该化合物的立体结构,指定了~1H和~(13)C的所有谱线。     

热稳定法拉第旋转TbYbBiIG磁光单晶及性能

采用高温溶液法，以Ｂｉ２Ｏ３／Ｂ２Ｏ３为助熔剂成功地生长出掺铋复合稀土铁石榴石（ＴｂＹｂＢｉ）３Ｆｅ５Ｏ１２（简称ＴｂＹｂＢｉＩＧ）晶体。晶体外形规则，最大尺寸为７×６×４ｍｍ３，Ｘ射线衍射分析证实，生长的晶体为ＴｂＹｂＢｉＩＧ单相单晶体，扫描电镜能谱分析其组成为Ｔｂ２．０６Ｙｂ０．４６Ｂｉ０．４８Ｆｅ５Ｏ１２。在１．０μｍ～１．７μｍ波段测量出晶体法拉第旋转谱和光吸收谱。当λ＝１．５５μｍ时，在１０°Ｃ～８０°Ｃ温度范围内测得法拉第旋转θＦ的温度系数为ｄθＦ／ｄＴ＝－２．３×１０－２ｄｅｇ·ｍｍ－１Ｋ－１。研究结果表明，ＴｂＹｂＢｉＩＧ单晶体在近红外波段θＦ约为ＹＩＧ单晶的３倍，温度系数小，是制作高性能光隔离器的一种好材料     

核磁共振碳谱的研究:烷烃分子的化学位移δ与原子距边矢量μ

系统研究了核磁共振碳谱及其化学位移规律性。并提出了一种新的分子图论参数：原子距离－边数矢量（μ矢量），并发现它与烷烃的１３－ＣＮＭＲ有良好的相关性。     

神经网络在波谱分析中的应用：用亚图估计和预测烷烃的^13C NMR

系统研究了神经网络在波谱分析中的应用，采用多层／三层前馈神经网络以误差反传及改进算法估计和预测Ｃ１－Ｃ１０的６０余种烷烃的化学位移。烷烃中碳原子由十余种对应于所谓根亚树的相嵌频率描述子所决定。这些描述子等于由１至６个碳原子组成的更小结构骨加组成。     

碳笼化合物的高效液相色谱研究

采用化学键合固定相（ＤＮＡＰ－ＳＰ）及二元混合流动相（５０％苯－正已烷），对碳笼化合物Ｃ６０与Ｃ７０的高效液相色谱（ＨＰＬＣ）分析及分离进行了研究。比较了多种流动相对Ｃ６０、Ｃ７０分离效果的影响，苯／正已烷混合体系是最好的流动相。     

钇对Mg-0.8Zr-0.35Zn基合金组织及高温性能的影响

采用XJG-04型金相显微镜、 JCXA-733电子探针、 D/max-rB型X射线衍射仪及WDW-200型电子万能实验机研究了Y对Mg-0.8Zr-0.35Zn基合金铸态、固溶时效组织及高温(250 ℃)性能的影响. 结果表明: Y能细化Mg-0.8Zr-0.35Zn基合金铸态及热处理态组织, 加入Y形成新相Mg24Y5. 在250 ℃时, 随着Y含量增加合金高温抗拉强度增大, 延伸率及断面收缩率降低; 高温拉伸断口SEM图像显示脆性断裂趋势增大, 断裂由延性向解理方式发展.     

Coordination complexes of 2-(4-quinolyl)nitronyl nitroxide with M(hfac)(2) [M = Mn(II), Co(II), and Cu(II)]: syntheses, crystal structures, and magnetic characterization

Three new complexes of the formula M(2)L(2) derived from 2-(4-quinolyl)nitronyl nitroxide (4-QNNN) and M(hfac)(2) [M = Mn(II), Co(II), and Cu(II)], (4-QNNN)(2).[Mn(hfac)(2)](2) (1), (4-QNNN)(2).[Co(hfac)(2)](2).2H(2)O (2), and (4-QNNN)(2).Cu(hfac)(2).Cu'(hfac)(2) (3), were synthesized and characterized structurally as well as magnetically. Complexes 1 and 2 are four-spin complexes with quadrangle geometry, in which both the nitrogen atoms of quinoline rings and oxygen atoms of nitronyl nitroxides are involved in the formation of coordination bonds. For complex 3, however, the nitrogen atoms of quinoline rings are coordinated with Cu(II) ion to afford a three-spin complex, which is further linked to another molecule of Cu(hfac)(2) (referred to as Cu'(hfac)(2)) to form a 1D alternating chain. The magnetic behaviors of the three complexes were investigated. For complex 1, as the nitronyl nitroxides and Mn(II) ions are strongly antiferromagnetically coupled, consequently its temperature dependence of magnetic susceptibility was fitted to the model of spin-dimer with S = 2, yielding the intradimer magnetic exchange constant of J = -0.82 cm(-1). For complex 2, the temperature dependence of the magnetic susceptibility in the T > 50 K region was simulated with the model of two-spin unit with S(1) = 3/2 and S(2) = 1/2, leading to J = -321.9 cm(-1) for the magnetic interaction due to Co(II).O coordination bonding, D = -16.3 cm(-1) (the zero-field splitting parameter), g = 2.26, and zJ = -3.8 cm(-1) for the magnetic interactions between Co(II) ions and nitronyl nitroxides through quinoline rings and those between nitronyl nitroxides due to the short O.O short contacts. The temperature dependence of magnetic susceptibility of 3 was approximately fitted to a model described previously affording J(1) = -6.52 cm(-1) and J(2) = 3.64 cm(-1) for the magnetic interaction between nitronyl nitroxides and Cu(II) ions through the quinoline unit via spin polarization mechanism and the weak O.Cu coordination bonding, respectively.