卤键,halogen bond
1)halogen bond卤键
1.The generalities and the investigation on thehalogen bond are introduced,the prospect of application of halogen is also anticipated.卤键是一种类似氢键的非共价键分子间相互作用,在晶体工程、超分子化学、高值材料、药物设计等领域发挥着重要作用,目前引起科学界的广泛关注。
2.Halogen bond is known as a kind of non-covalent intermolecular interaction.卤键是一种类似氢键的分子间弱相互作用。
3.The nature ofhalogen bond was investigated, indicating that this kind ofhalogen bond is between covalent and ionic bonds, with the electrostatic interaction being dominant.运用量子化学密度泛函B3LYP方法,采用6-311++G(d,p)及aug-cc-pVDZ基组,通过CP校正的几何梯度优化对(CH2)2O和(CH2)2S与双卤分子XY(XY=Cl2,Br2,ClF,BrF,BrCl)形成的卤键复合物的几何构型、振动频率和相互作用能等进行了研究。
英文短句/例句
1.Theoretical Studies on the Halogen Bond between Oxirane or Thiirane and Dihalogen Molecules(CH_2)_2O,(CH_2)_2S与双卤分子间卤键的理论研究
2.Theoretical Study of Halogen Bonding-A World Parallel to Hydrogen Bonding;与氢键平行的分子间相互作用—卤键的理论研究
3.Layer-by-Layer Assembly of Polymers via Hydrogen Bonding or Halogen Bonding: Effect of Solvents;基于卤键或氢键的聚合物层状组装：溶剂影响
4.Structures and Properties of Halogen Bond and Hydrogen Bond Formed between CH_3SH and HOClCH_3SH与HOCl分子间氢键和卤键的结构与性质
5.Halogen Bonding Supramolecular Architecture and Fluorescent Molecule Switch Behavior;卤键超分子体系以及荧光分子开关行为
6.The theoretical research on furan and halogen bond in CHF_3 and CClF_3呋喃与CHF_3和CClF_3构成的分子间卤键的理论研究
7.Without doubt chloroform is one of the most important compounds containing a carbon-halogen bond.毫无疑问，氯仿是含碳?卤键的最重要的化合物之一。
8.Design and Layer-by-Layer Assembly of a Polymer Multilayer Film Based on Halogen Bonding;一种基于卤键的聚合物多层膜的设计与层状组装
9.The nature of chemical bond of halide and chalcogenide glasses was discussed in terms of the che-mical bond approach.本文采用化学键方法对卤化物及硫卤玻璃的化学键特性进行了探讨。
10.Study of the Process of Xiangzaolu and Its Critical Control Point;香糟卤生产工艺及其关键控制点的研究
11.Research on Halogen-free and Non-phosphorus Flame-retardant Key Resin Materials Used in CCL;无卤无磷阻燃覆铜板关键树脂材料的研究
12.Electronegativity Corelation for Calculating the Bond Energy of the Transitional Metal Halides;电负性相关和过渡金属卤化物键能的计算
13.A study of thermodynamic properties of halogenated methane by the method of chemical bond parameter function用键参数函数法研究卤代甲烷的热力学性质
14.Polycrystalline Alumina Ceramic Bulb,the Key of the Development of Ceramic Metal Halide Lamp(Ⅰ)陶瓷金卤灯发展的关键——多晶氧化铝陶瓷泡壳(上)
15.Study of the Preparation and Photoinitiating Activity of Arene-Iron Salts with Alkoxyl Group and Halides;含醚键和卤素的芳茂铁盐的制备及光引发活性的研究
16.Correlation Study on Bond Topological Indices and Standard Enthalpy of Formation and Standard Free Energy of Halids;键参数拓扑指数与卤化物标准生成焓标准自由能的相关性研究
17.Synthesis and insecticidal activity of 6 terpinen-4-ol halogenated and change analogues6种松油烯-4-醇卤代及双键改造衍生物的合成及其杀虫活性
18.To treat or combine with a halogen.卤化用卤素处理或与卤素引起化合
相关短句/例句
Halogen bonding卤键
1.Halogen bonding (XB) is a noncovalent interaction between halogen atoms, that work as electron density acceptors (XB donors) and neutral or anionic electron density donors (XB acceptors).卤键是一种新的分子间非共价作用力,它存在于卤素原子(路易斯酸)和具有孤电子对的原子或π-电子体系(路易斯碱)之间,在超分子化学、材料科学、生物识别和药物设计等领域已经显示出独特的优势。
2.By virtue of its strength,selectivity,and directivity,halogen bonding has led to a number of applications in fields as diverse as molecular recognition,enantiomers s separation,crystal engineering,and supramolecular architectures.卤键是由卤原子(路易斯酸)与中性的或者带负电的路易斯碱之间形成的非共价相互作用。
3.Methods Under certain conditions,a molar ratio 1∶1 n-π charge transfer or n-σ halogen bonding compound at 518 nm was formed between fleroxacin and chrome azurol S.方法在一定条件下,氟罗沙星与铬天青S反应生成在518nm处有最大吸收的n-π型1∶1电荷转移化合物或n-σ*型1∶1卤键化合物,利用铬天青S-氟罗沙星分光光度法测定氟罗沙星含量。
3)Halogen-bond卤键
1.Theoretical studies on the halogen-bond in complexes of furan and dihalogen molecules(ClF,BrF and BrCl) have been carried out at the level of DFT and MP2(full).用DFT和MP2(full)方法研究了呋喃-XY(XY=ClF,BrF,BrCl)体系分子间的相互作用,讨论了两种卤键类型Y—X…O和Y—X…π的作用。
4)π-type halogen-bondπ型卤键
1.The full geometry optimizations for theπ-type halogen-bond systems,C2H4(C2H2) -XY(XY= F2,Cl2,Br2,ClF,BrF,BrCl) were carried out using MP2 and DFT at 6-311++G(d,p) and aug-cc-pvdz levels.运用DFT和MP2(full)在6-311++G(d,p)和aug-cc-pvdz基组水平上,对一系列简单的分子间π型卤键体系C2H4(C2H2)-XY(XY=F2、Cl2、Br2、ClF、BrF、BrCl)进行构型全优化,得到了T型卤键复合物。
5)halogen-bonded complex卤键复合物
1.The study of structures and properties ofhalogen-bonded complexes between H_2CX,(CH_2)_2X(X=O,S) and fluorine moleculeH_2CX,(CH_2)_2 X(X=O,S)与氟分子间卤键复合物结构和性质的研究
2.The interaction energies of thehalogen-bonded complexes were calculated.运用量子化学微扰理论MP2和密度泛函B3LYP方法,采用6-311++G(d,p)基组,对H2O,H2S与双卤分子XY(XY=F2,Cl2,Br2,ClF,BrF,BrCl)形成的卤键复合物进行构型全优化,并计算得到了这些体系的分子间相互作用能。
6)Di-halogen bond X…Cl双卤键X…Cl
延伸阅读
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