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1、结构化学模型实习讲义（Structural chemistry model practice notes）This article is contributed by suprachemDOC documents may experience poor browsing on the WAP side. It is recommended that you first select TXT, or download the source file to the local view.Lecture notes on structural chemistry models (2010)Name,
2、 professional numberSchool of chemistry and chemical engineering; Zhongshan UniversityThe stereochemistry and molecular properties of an internFull nameI. purposeIt is important to understand the properties of molecules by describing the molecular structure of atoms and the symmetry of point groups.
3、 In this study, we make and observe molecular models by ourselves, grasp the spatial structure and symmetry of point groups, and deepen the understanding of molecular configurations and molecular properties.No.majorachievementTwo, content: content:1. Take the following molecular models to understand
4、 their symmetry and fill in the contents of each column of the table. 4, 2O2, 6, 4 (CH2) 6, CH H SF N, C C6H12 (cyclohexane: ship type and chair type) 2H6 (type of reduplication, cross type and between the two) 2, following a allenic compound model, understand their symmetries. H2C=C=CH2, ClHC=C=CH2
5、, Cl2C=C=CH2, ClHC=C=CHCl 3, according to the model form molecular CH4 (tetrahedron) SF6 (eight sides) B12 (twenty sides) cyclohexane boat chair H2O2 overlapping C2H6 cross type intermediate type N4 (CH2) 6 H2C=C=CH2 ClHC=C=CH2 Cl2C=C=CH2 ClHC=C= CHCl note: in the model to build the molecular. Usual
6、ly, in accordance with the following rules with different colors represent different atoms: C H O black, light grey, red, green blue N, Cl Br I, red brown, red purple, yellow S, P purple; metal atoms to the metal element display colors. The number of elements and symmetry axis of symmetry point grou
7、p dipole moment rotation mirror IPractice two hybrid orbitals and borane structuresFull nameI. purpose(1) hybrid orbital theory has important application value in molecular structure and coordination structure. By observing the models of the hybrid orbitals, we can master the spatial structure and c
8、omposition of the hybrid orbitals, and deepen the understanding and application of the hybrid orbital theory. (2) borane is a kind of nonmetal cluster compound with special configuration, because it has different types of electron deficient multi center bonds, and exhibits special structural and per
9、formance characteristics. By observing the models of various borane structures, we can grasp the characteristics of different types of electron - deficient and multi - Center bonds, and deepen the understanding of the structure of borane.No.majorachievementTwo, content: content:1. Observe the hybrid
10、 orbital model and fill in the following tableHybrid orbitals SP, SP2, SP3, dsp2, dsp3, dsp3 two, d2sp3, SP3, D3Participate in hybrid atomic orbitalsconfigurationPoint groupExample2. Observe the borane structure model and fill in the following table: borane, Styx, digital dot group, B, 2H 6, B4H10,
11、B, 5H, 9, B5H11, B6H10, B10H14Practice three introduction of several common chemical softwares in supramolecular complexesFull name1. Chemdraw and chem3D 2. Gauss03 and GaussView operation: the use of Chemdraw to draw the following ligand (choose one) structure, three-dimensional structure and optim
12、ization into chem3D, and then import the GaussView program, using the B3LYP method, the 6-31G* group, calculation of singlet and triplet three single point energy, print out the GJF file. (no need to submit a task)No.majorachievementR NN, N, R, N, N, N, RNR = -CH 3, -CH, 2CH3, -CH, 2CH2, CH3, -CH, 2
13、CH2, CH2, CH 3, -CH, 2CH=CH2, -CH, 2Ph,L1, L2, L3, L4, L5, L6NTBONNAntipyrineN S S NC4TQPractice four coordination compound and ligand fieldName, student number, professional achievementA, (1) to understand the ligand field and crystal field theory to distinguish between strong and weak eight surfac
14、e field electron spin state caused by the different arrangement, calculate eight surface field and tetrahedral field in the crystal field stabilization energy (LFSE). (2) understanding the possible configurations and their common complexes in the presence of different coordination numbers, and preli
15、minary understanding of the splitting of the d orbitals in the coordination field at low coordination numbers. (3) understanding the 18 electron rule and the common geometric configuration of transition metal cluster compounds. Two. Content 1. Understand the content of the ligand field theory and fi
16、ll in the following table. Coordination ion ligand field (pointing out strong / weak eight body or tetrahedral field) spin state (high / low) electron configuration LFSE (- 0)Fe（H2O）6 2 + Fe（CN）6 4 Fe（CN）6 3 cof6 3 公司（EN）3 3 + Co（NO2）6 4 离子 Ag（NH3）4 + 22 ZnCl4。观察下列配位数模型，填写下表。配位数4配位构型点群D轨道分裂情况（用短线图表示
17、）实例五六7 8 9 12三.观察下列多面体模型，与过渡金属簇合物的结构相对应，填写下表。多面体四面体八面体双帽四面体加帽四方锥三棱柱二十面体金属原子间成键总数B实例轨迹与锰有关的价电子总数G实习五点阵和晶胞姓名一、目的了解点阵、结构基元、晶胞等基本概念，掌握14种布拉维格子的分类、特征及一些常见化合物的晶胞结构。学号专业成绩二、内容：内容：1。观察14种布拉维格子，填写下表。格子名称记号所属晶系每个晶胞中含点阵点个数点阵参数的限制2。根据晶体结构模型写出下表各栏内容。尿素结构基元点阵型式氟化钙氯化铯氯化钠金刚石闪锌矿六方石墨（AB型）三方石墨（ABC型）特征对称元素晶系正当晶胞中结构基元数原
18、子分数坐标只写Ca2坐标：三.讨论（1）在14种点阵型式中，为什么有四方我，而无四方F？为什么有正交C，而无四方C？为什么有立方F，而无立方C？根据什么原则确定点阵型式？（2）结构基元、点阵点、晶胞和点阵型式等概念的正确含义和相互关系怎样？实习六等径圆球的堆积姓名一、目的通过等径圆球的堆积来模拟金属单质中原子的堆积，了解金属单质的若干典型结构型式，加深对金属结构的了解。学号专业成绩二、内容：内容：1。密堆积层。取若干等径圆球，分别排列成密堆积层和四方平面层，比较它们的异同，填写下表。（设圆球半径为R，球的配位数是指与一个圆球直接接触的圆球数目。计算空隙中心到球面的最短距离，用半径R表示）密堆积
19、层四方平面层每个球的配位数法线方向上的对称性空隙中心到球面的最短距离面积利用率等径圆球的最密堆积2。将密堆积层按ABAB和紧紧两种重叠方式分别组成六方和立方最密堆积。各取一个晶胞，观察并填写下表。堆积方式球的配位数一个球平均占有的四面体空隙数一个球平均占有的八面体空隙数点阵型式密堆积层方向（用晶胞单位矢量表示）晶胞内球的分数坐标六方（A3）立方（A1）3。最密堆积中的空隙。（1）四面体空隙一个四面体空隙由4个球构成，所以一个球在一个四面体中占有分之一的空隙。一个球参与个四面体空隙的构成。因此，平均一个球占有个四面体空隙。计算四面体空隙到球面的最短距离（用球半径R表示）。（2）八面体空隙一个八面
20、体空隙由6个球构成，所以一个球在一个八面体中占有分之一的空隙。一个球参与个八面体空隙的构成，因此，平均一个球占有个八面体空隙。计算八面体空隙到球面的最短距离（用球半径R表示）。4。体心立方堆积和简单立方堆积体心立方堆积和简单立方堆积将球做体心立方堆积和简单立方堆积，取其晶胞，观察并填写下表。表中密置列是指球沿一维直线紧密排列，其方向以晶胞单位矢量表示。堆积方式密置列方向球的配位数晶胞内球的坐标空隙型式晶胞内空隙数空隙中心到球面的最短距离一个球平均占有的空隙数体心立方简单立方5。列式计算立方紧密堆积、六方最密堆积、体心立方堆积、简单立方堆积等的堆积系数。列式计算立方紧密堆积、六方最密堆积、体心立
21、方堆积、简单立方堆积等的堆积系数。实习七离子晶体的结构姓名学号专业成绩By observing and analyzing the structural model of 6 two element ionic crystals listed in the following table, we can understand the structure of ionic crystals, and fill the table with the results, and summarize the crystallization chemistry law of two element ion
22、ic crystals. The crystal packing of positive and negative ions negative ion coordination point formation type structure element lattice way of positive and negative ion radius ratio of positive and negative ions than the number of positive ions occupy what gap positive ion distribution ratio is the
23、number of bits for gap ion polyhedron connection of negative ions in the number of NaCl CsCl ion fractional coordinates of cubic ZnS six ZnS rutile CaF2Internship eight supramolecular self-assembly and crystal engineeringName, student number, professional achievementIn the network database, consult
24、the following literature on supramolecular self-assembly and crystal engineering, and choose one to write a reading report of not less than 1000 words. (content: with their own language summary this article summarizes the research background, assembly strategy, academic thoughts, methods, research m
25、ethods, and the obtained from their help and inspiration, using scientific ideas to design an experiment, self assemble a super molecular structure of the complex, and through the appropriate analysis method to research the performance). Xin-Long, Wang, Chao, Qin, En-Bo, Wang, and, Zhong-Min, Su, An
26、, unusual, polyoxometalate-encapsulating3D, polyrotaxane, framework, by, molecular, squares, threading, on, twofold, interpenetrated, diamondoid, skeleton, Chem., Commun., 2007, - - formed - A, Chun-Feng, Zhuang, Jianyong, Zhang, Qing, Wang, Zhao-Hua, Chu, Dieter, Fenske, and, Cheng-Yong, Su,Tempera
27、ture-Dependent, Guest-Driven, Single-Crystal-to-Single-Crystal, Ligand, in, a, Two-Fold, Interpenetrated, Grid, Network, Exchange, Chem., Eur., J., 2009, 15, 7578 - - CdIIHai-Ying, Deng, Jian-Rong, He, Mei, Pan, Lei, Li, and, Cheng-Yong, Su, Synergistic, metal, and, anion, effects, onThe, formation, of, coordination, assemblies, a, N, N, from, -bis (3-pyridylmethyl), naphthalene, ligand, diimide, CrystEngComm., 2009, 11, 909 - 917.One