信息化时代物理化学课程的教学改革与实践

互联网的发展加速了信息和知识的传播,在为大学课程教学提供更多资源的同时也给传统的课堂教学方法带来很大挑战。介绍了北京师范大学物理化学教学团队在线上线下混合教学方法的创立、大规模在线开放课程(MOOC)建设、思政元素引入教学等方面利用互联网资源所实施的教学改革和实践,为探究和建立信息时代大学化学课程教学方法的新模式提供参考。     

Synthesis, Crystal Structure and Luminescence of a Novel One-dimensional Silver(I)Sulfonate Complex with Pyrazine Ligand

The title complex,[Ag2(L1)2(Pyr)·2.5H20]1(L1=6-amino-1-naphthalenesulfonate anion,Pyr=pyrazine),has been synthesized and characterized by single-crystal X-ray diffraction analysis. It crystallizes in triclinic, space group P1,with a=7.339(5),b=13.105(5),c=14.097(5)(A),α=84.377(5),β=76.921(5),γ=79.628(5)°,V= 1296.7(11)(A°)3,C48H50Ag4N8O17S4,Mr =1570.68,Z=1,Dc=2.011 g/cm3,/μ= 1.732 mm-1,F(000)=782,S=1.148,the final R=0.0436 and wR=0.1181 for 4130 observer reflections(I＞20(I)).Compound 1 shows a rare one- dimensional(1D)double chain, and the chains are further connected through secondary bonding,hydrogen bonds, and π-π interactions to generate a three-dimensional(3D)supramolecular structure.The luminescent property of 1 was also studied in the solid state at room temperture.     

聚甲基丙烯酸三氟乙酯单体与分子链在金属有机框架中吸附及取向特性的理论研究

本文结合分子动力学、密度泛函理论和蒙特卡洛方法，研究了光学损耗低的氟化聚合物单体分子甲基丙烯酸三氟乙酯（TFMA）及其分子链在[Zn2(BDC)2TED]n和[Zn2(BPDC)2TED]n两种结构有序的金属有机框架（MOFs）材料中的吸附特性，得到相应的吸附数量和取向程度，以探索提高聚合物材料双折射性的有效途径。通过分析结果得出影响TFMA单体分子在这两种MOF孔道中吸附及取向特性的三个因素：a）由于MOF孔道壁是由金属离子和有机配体组成的极性表面，MOF孔壁与极性分子TFMA之间的静电相互作用对TFMA单体分子在孔道内的吸附和取向有促进作用；b）在受限空间中的聚合物单体分子之间的静电相互作用使其分子间隙更加紧密，同样也对其分子取向有促进作用；c）在这个两种孔洞与聚合物单体分子相对大小不同的MOF中，单体分子和分子链的取向度基本一致，但单体分子在孔径较大的MOF中吸附数量更多。这三个因素的重要影响，为聚合物单体或MOF的选取、对聚合物链取向及双折射性的控制提供理论预测方法。     

Asymptotic analysis of outwardly propagating spherical flames

Asymptotic analysis is conducted for outwardly propagating spherical flames with large activation energy.The spherical flame structure consists of the preheat zone,reaction zone,and equilibrium zone.Analytical solutions are separately obtained in these three zones and then asymptotically matched.In the asymptotic analysis,we derive a correlation describing the spherical flame temperature and propagation speed changing with the flame radius.This correlation is compared with previous results derived in the limit of infinite value of activation energy.Based on this correlation,the properties of spherical flame propagation are investigated and the effects of Lewis number on spherical flame propagation speed and extinction stretch rate are assessed.Moreover,the accuracy and performance of different models used in the spherical flame method are examined.It is found that in order to get accurate laminar flame speed and Markstein length,non-linear models should be used.     

R6G@γ-CD-MOFs复合物的制备及其在Fe3+离子传感中的应用

利用γ-环糊精（γ-CD）、氢氧化钾、甲醇和水,制备了γ-CD-MOFs,并使用X射线粉末衍射、热重分析和扫描电镜对其结构、稳定性和形貌进行表征。由于γ-CD-MOFs的结构中含有一维孔道,在其孔道中引入黄光发射的罗丹明6G （R6G）染料,获得了荧光复合材料R6G@γ-CD-MOFs,并探索了其对不同金属离子的荧光响应情况。实验结果表明,R6G@γ-CD-MOFs能够从12种金属离子中选择性传感Fe³⁺离子,在2×10^-4~2.0×10^-2 mol·L^-1范围内其荧光猝灭常数（K^sv）为1.03×10⁴ L·mol^-1。     

Synthesis,Crystal Structure and Luminescence of a Novel One-dimensional Silver（Ⅰ）Sulfonate Complex with Pyrazine Ligand

The title complex,[Ag 2 (L1) 2 (Pyr)·2.5H 2 O] 1 (L1=6-amino-1-naphthalenesulfonate anion,Pyr=pyrazine),has been synthesized and characterized by single-crystal X-ray diffraction analysis.It crystallizes in triclinic,space group P1,with a=7.339(5),b=13.105(5),c=14.097(5),α=84.377(5),β=76.921(5),γ=79.628(5)°,V=1296.7(11) 3,C 48 H 50 Ag 4 N 8 O 17 S 4,M r=1570.68,Z=1,D c=2.011 g/cm 3,μ=1.732 mm-1,F(000)=782,S=1.148,the final R=0.0436 and wR=0.1181 for 4130 observer reflections (I > 2σ(Ⅰ)).Compound 1 shows a rare one-dimensional (1D) double chain,and the chains are further connected through secondary bonding,hydrogen bonds,and π-π interactions to generate a three-dimensional (3D) supramolecular structure.The luminescent property of 1 was also studied in the solid state at room temperture.     

双层螺旋环超表面复合吸波体等效电路模型及微波损耗机制

针对超材料吸波频带窄的问题,采用金属螺旋环超表面与碳纤维吸波材料相复合的方式,设计了宽频高性能复合吸波体.研究发现,在碳纤维吸波材料中引入双层螺旋环超表面能显著增强吸收峰值和吸波带宽,且适当增加螺旋环初始线长和吸收层厚度有利于提高复合吸波体的吸波性能, 9.2—18.0 GHz频段的反射损耗均优于–10 dB (带宽达8.8 GHz),吸收峰值达–14.4 dB.利用S参数计算得到螺旋环-碳纤维复合吸波体的等效电磁参数和特征阻抗呈现多频点谐振特性,通过构建双层螺旋环超表面等效电路模型,定量计算了复合吸波体的电磁谐振频点,发现由等效电路模型获得的谐振频点计算值与仿真值基本相符,说明该复合吸波体多频点电磁谐振是宽频电磁损耗的主要机制.     

斜入射离子束辅助沉积对类金刚石薄膜结构影响的分子动力学模拟

采用分子动力学（MD）模拟方法,从原子尺度上研究了离子束辅助沉积（IBAD）类金刚石（DLC）薄膜过程中离子束入射角对薄膜结构的影响.重点讨论了不同的离子束入射角所对应的薄膜表面模型,平均密度和sp³键含量.结果表明,离子束斜入射加强了入射原子的水平动能,从而加强了原子水平迁移;Ar离子斜入射时C原子迁移率均比垂直入射大,薄膜密度和sp³键含量都比垂直入射小.不同的离子束入射角随着到达比和入射能的变化,对薄膜结构的影响不同.离子束斜入射时可以得到不同结构的膜. 关键词： 类金刚石薄膜 入射角 离子束辅助沉积 分子动力学模拟     

Azobenzene Based Photo-responsive Mechanical Actuator Fabricated by Intermolecular H-bond Interaction

Photo-responsive mechanical actuator is a class of stimuli-responsive materials transferring light to mechanical energy through macroscopic transformation. To fabricate photo-responsive mechanical actuator, soft polymeric materials crosslinked with functional bridging structures are desired. Supramolecular interaction is a relatively common way to fabricate crosslinked materials due to its excellent self-assembly performance. And azobenzene and derivatives are ideal candidates of photo-responsive materials because of the unique photo-induced trans-cis isomerization. Here, a new kind of crosslinked materials based on supramolecular interaction between 4,4'-dihydroxyazobenzene and chitosan is reported. Under 355 nm irradiation, the macroscopic bending of polymeric materials occurs rapidly due to the photo-isomerization of 4,4'-dihydroxyazobenzene. Meanwhile, the photo-responsive mechanical actuator can also lift weight which is up to 200 times that of the actuator itself, and convert energy from light to mechanical work efficiently. This report suggests a new kind of photo-responsive actuator based on supramolecular interaction and may be helpful to contribute a theoretical basis to the design and synthesis of photo-responsive mechanical actuator suitable for large-scale manufacturing industrialization in future.     

生物质液相解聚残渣热解行为对比研究

解聚残渣是生物质在酸催化转化制取平台化合物过程中形成的固体副产物.本次研究发现三种衍生自玉米杆(H-CS)、柳桉(H-ES)、樟子松(H-PS)的解聚残渣都是富含苯环和呋喃环的复杂聚合物,其碳含量超过68％.基于DG-DAEM的热裂解宏观动力学特性模拟表明H-CS降解平行反应具有更低的活化能(144.7 k J/mol),而缩合平行反应是H-CS的主导反应.此外,还使用PY-GC/MS和TG-TOF-MS对热解产物的逸出行为进行了分析,得到解聚残渣中典型化学结构与热解行为之间的关联.