N,N′-亚水杨基皮考林酰肼合铁(Ⅱ)的晶体结构和荧光性质

合成了N,N′-亚水杨基皮考林酰肼(HL)及其铁配合物[FeL2](C26H20FeN6O4,Mr=536 33).X射线衍射实验结果表明,标题配合物晶体属于正交晶系,空间群为Pbcn,晶体学参数:a=1 4970(1)nm,b=1 51556(9)nm,c=2.0920(2)nm,V=4 7462(6)nm3,Z=8,Dc=1 501Mg·m-3,F(000)=2208,μ(MoKα)=0 682mm-1,R=0 0695,Rw=0 1502.在配合物[FeL2]中,铁(Ⅱ)原子具有扭曲的八面体配位构型,晶体通过分子间氢键作用形成缔合分子对.红外光谱表明,配体在形成配合物后,ν(CO)和ν(CN)红移.电子光谱表明存在π-π 和d-π 的跃迁;荧光光谱表明,配合物金属对配体n-π 激发引起的荧光发射峰有较大的影响.     

Cu2(μ-dppb)2(μ-Cl)2的合成、晶体结构及非线性光学性质

The complex Cu₂(μ-dppb)₂(μ-Cl)₂ has been synthesized from the reaction of CuCl， dppb and (n-Bu)₄NCl. The crystal belongs to the triclinic with space group P1. The unit cell parameters are: a=9.939(4)?， b=10.083(6)?， c=14.104(5)?， α=76.46(3)°， β=71.02(2)°， γ=70.87(5)°. The single crystal X-ray diffraction analysis reveals that it has a bi-ring structure with a symmetry center at the middle of two Copper atoms. The outer ring is a 14-membered ring of Cu-dppb-Cu-dppb， and the inner ring is a 4-membered ring composed of two Cl^- and two Cu(Ⅰ). Investigation of third-order optical nonlinearity shows that it exhibits considerable nonlinear absorptive and self-defocusing effect with α₂=1.75×10^-13m·W^-1 and n₂=3.19×10^-18m²·W^-1. CCDC: 193113.     

双质谱测定地卟啉取代基组成的解析方法及其应用

根据卟啉标样的双质谱特征，建立一种计算卟啉环上取代基组成的方法。卟啉的平均分子结构简式衡量其取代基的组成，尤其对地质体中相同碳数的卟啉“混合物”大环外取代基的构成十分有效。     

间接原子吸收法测定乳酸环丙沙星

研究了在弱酸性介质中，乳酸环丙沙星与雷氏盐定量生成缔合物的反应条件，以及通过原子吸收法测定沉淀中Cr的含量而间接测定乳酸环丙沙星含量的分析方法。线性范围在5－40mg/L，相对标准偏差为2．5％，回收率在98％－101％之间。     

氨在HZSM-5沸石上的吸附与程序升温脱附

ZSM-5沸石是一种多用途、性能独特的催化剂.它的催化性能与其表面酸性有着密切关系.文献上报道过一些用微量量热,量热滴定,红外光谱等方法从不同侧面来研究ZSM-5沸石的酸性.近来Topsφe等的工作表明,氨的程脱是研究沸石酸性的一种有效工具.本文采用真空重量法吸附装置与程脱技术联用,对不同胺合成和不同预处理条件的HZSM-5佛石的酸性进行了研究.     

EPR Study on the complex formed by charge-transfer process between ground-state acceptor chloranil and nine donors

EPR study showed that the semi-quinone radical anion of chloranil (TCQ) was formed in a charge-transfer process between ground state chloranil as acceptor and each one of the following ground state donors,i.e.,N,N'-diethyl aniline (DEA),phenothiazine (PTZ),carbazole (CBZ),pyrene (PY),ferrocene (FRO),triphenylphosphine (TPP),triethylamine (TEA),anthracene (AN) and N,N-diethyl-3-aminophenyl ester of palmitic acid (DPP).Our results indicate that there is a tunneling effect for the ground-state charge-transfer process between chloranil and the donor.     

Study on Tonghaosu and Its Analogs： Isolation, Structure Identification and Synthesis of Antifeedant B-ring-homo-tonghaosu

The methanolic extract from a Chinese endemic Chrysanthemum plant, Dendranthema indicum var. aromaticum, was found to show high antifeeding activity against Pieris brassicae L., and by bioassay-guided separation, the active component, B-ring-homo-tonghaosu, 2-(2‘,4‘-hexadiynylidene)-1,6-dioxaspiro-[4,5]-dec-3-ene (2) was isolated. Its structure was elucidated by comparing its spectroscopic data with those of 2 reported in the literatures. Furthermore new convenient total synthesis methods of B-ring-homo-tonghaosu were also developed to confirm its structure and make its further application in crop protection available. In addition, extensive comparison of spectroscopic data showed that the structure of compound 21 reported in literature should be revised to 2.     

基于GA-BP算法的充电站负效应评价

由于电动汽车出行需求存在随机性、充电信息不精准等问题,造成城市交通能源供应站承载力与补能需求车辆的时空错配,导致充电站产生了拥堵排队、能源消耗不合理等负效应。基于此,文中从负效应最小化的视角构建了充电站的负效应评价指标体系,综合考虑交通效率影响、站点服务影响、电网负荷影响等3个因素,采用GA-BP神经网络构建了充电站负效应评估模型。最后,以重庆市南岸区某充电站为例,验证了该方法的适用性与有效性。     

退火工艺对HgCdTe材料位错密度及电学性能影响的研究

实验分别采用高低温退火和循环变温退火方式对液相外延生长的HgCdTe材料进行饱和汞压热处理,研究了两种热处理工艺对碲镉汞材料位错密度及电学性能的影响。结果表明：相较于高低温退火,经循环变温退火后HgCdTe材料的位错密度有了明显的降低,并且材料的迁移率有了显著的提升。研究发现循环变温退火是一种较好提升HgCdTe材料性能的热处理方法。     

碲锌镉晶体VGF法生长温场的梯度区高度设计研究北大核心CSCD

本文对不同梯度区高度的VGF法温场生长碲锌镉(CdZnTe)晶体过程进行了稳态和非稳态仿真模拟分析。研究发现,晶体生长等径初期界面凸度随着梯度区高度的增加而减小;等径末期界面凸度受梯度区高度的影响不大;界面的凸度与固液界面温度梯度变化率正相关。非稳态模拟结果显示,现有变温条件下,晶体生长过程中固液界面凸度存在先增大后减小的趋势,趋势转变点接近梯度区高度中点;界面形状的变化趋势受固液界面上生长速度分布直接影响;对比而言,10 cm高的梯度区更容易实现前中期固液界面凸界面的获得,利于形成高单晶率CdZnTe晶体。