通过动态路径控制在一维自组合中的超分子多态
Marius Wehner1,2, Merle Insa Silja Röhr1, Michael Bühler1
1Center for Nanosystems Chemistry & Bavarian Polymer Institute , Universität Würzburg , Theodor-Boveri-Weg , 97074 Würzburg , Germany.
Journal of the American Chemical Society
|March 21, 2019
概括
研究人员控制了一种烯二氧化物 (PBI) 分子自组成三个不同的1D超分子多态. 这种对分子包装安排的控制是通过物理或化学方法实现的,为多态性提供了洞察力.
科学领域:
- 材料科学
- 超分子化学
- 物理化学
背景情况:
- 控制分子固体中的多态性至关重要,因为属性取决于分子包装.
- 二胺 (PBI) 衍生物因其光电子特性而受到广泛研究.
研究的目的:
- 研究PBI器官凝聚器 (PBI-4) 的自我组装成不同的一维 (1D) 超分子多态.
- 了解这些多态的形成和相互转换的因素.
主要方法:
- 紫外/紫光,CD,光和红外光谱
- 原子力显微镜 (AFM)
- 推拉弹性带 (NEB) 的计算
- 时间,度和温度依赖的实验
主要成果:
- 在相同的溶剂/度下,PBI-4自组装成三种不同的1D超分子多态 (Agg1-3).
- 多态体在 π-π 堆积和结模式上有所不同.
- NEB的计算揭示了涉及动力捕获状态的核化路径 (Agg 1).
- 阐明了热力学稳定性和相互转换动力学.
结论:
- 通过超声波或播种可以产生特定的多态体.
- 这项研究促进了对自组装1D结构的多态性理解.
相关概念视频
Kinetic Energy
43.4K
Kinetic energy is the ability of an object in motion to do work or enact change. It can take on many forms. For instance, water flowing down a waterfall has kinetic energy. In biological systems, particles of light travel and are absorbed by plants to create chemical energy. Animals consume the chemical energy and give off molecules that carry their scent through the air. They also generate kinetic energy when they run away from predators. Entire systems also possess kinetic energy, like the...
43.4K
Enzyme Kinetics
104.0K
Enzymes speed up reactions by lowering the activation energy of the reactants. The speed at which the enzyme turns reactants into products is called the rate of reaction. Several factors impact the rate of reaction, including the number of available reactants. Enzyme kinetics is the study of how an enzyme changes the rate of a reaction.
Scientists typically study enzyme kinetics with a fixed amount of enzyme in the controlled environment of a test tube. When more reactant, or substrate, is...
Scientists typically study enzyme kinetics with a fixed amount of enzyme in the controlled environment of a test tube. When more reactant, or substrate, is...
104.0K
Kinetic Molecular Theory: Molecular Velocities, Temperature, and Kinetic Energy
29.8K
The kinetic molecular theory qualitatively explains the behaviors described by the various gas laws. The postulates of this theory may be applied in a more quantitative fashion to derive these individual laws.
29.8K
Dimensional Analysis
61.8K
Dimensional analysis, also known as the factor label method, is a versatile approach for mathematical operations. The main principle behind this approach is: the units of quantities must be subjected to the same mathematical operations as their associated numbers. This method can be applied to computations ranging from simple unit conversions to more complex and multi-step calculations involving several different quantities and their units.
Conversion Factors and Dimensional Analysis
The unit...
Conversion Factors and Dimensional Analysis
The unit...
61.8K
Electrophilic Addition of HX to 1,3-Butadiene: Thermodynamic vs Kinetic Control
3.7K
The addition of a hydrogen halide to 1,3-butadiene gives a mixture of 1,2- and 1,4-adducts. Since more substituted alkenes are more stable, the 1,4-adduct is expected to be the major product. However, the product distribution is strongly influenced by temperature; low temperature favors the 1,2-adduct, whereas the 1,4-adduct is predominant at high temperature.
3.7K
C4 Pathway and CAM
49.1K
Most plants use the C3 pathway for carbon fixation. However, some plants, such as sugar cane, corn, and cacti that grow in hot conditions, use alternative pathways to fix carbon and conserve energy loss due to photorespiration. Photorespiration is the process that occurs when the oxygen concentration is high. Under such conditions, the rubisco enzyme in the Calvin cycle binds O2 instead of CO2, which halts photosynthesis and consumes energy.
C4 Pathway
The C4 pathway is used by plants such as...
C4 Pathway
The C4 pathway is used by plants such as...
49.1K


