通过芳香性和拓学的变化,扩张氨酸的导电性切换
Thijs Stuyver1, Mickael Perrin2,3, Paul Geerlings1
1Department of General Chemistry (ALGC), Vrije Universiteit Brussel (VUB) , Pleinlaan 2, 1050 Brussels, Belgium.
Journal of the American Chemical Society
|January 2, 2018
概括
扩张的氨酸可以通过改变其电子特性和芳香度来作为分子开关. 这些开关显示出分子电子的潜力,可根据拓和芳香度调节导电.
科学领域:
- 分子电子
- 超分子化学
- 有机电子产品
背景情况:
- 扩展的氨酸表现出可调的π-结合拓 (Möbius,Hückel,扭曲的Hückel).
- 这些拓变化会影响电子特性和芳香度.
- 扩展氨酸对电子设备中的分子开关具有前景.
研究的目的:
- 根据扩张氨酸的拓和芳香度变化,评估导电性切换的可行性.
- 研究不同拓和芳香度的膨胀氨酸的电子传输特性.
- 探索这些分子作为三级分子开关的潜力.
主要方法:
- 使用了格林的非平衡函数形式主义.
- 使用密度函数理论进行计算.
- 模拟各种扩展氨酸配置和黄金接触的电子传输.
主要成果:
- 宏循环芳香度和连接性对传输功能和局部电流产生重大影响.
- 当电极纵向对齐时,Hückel芳香度会增强单分子连接电导率.
- 由于量子干扰,反芳香的Hückel结构在费米水平附近的传输减少.
- 莫比乌斯芳香结构具有较低的导电性,电流避免了分子扭曲.
结论:
- 扩展可以作为有效的三级分子开关.
- 氧化和拓间转换可实现高开/关比 (低偏差时高达103).
- 这些发现突显了芳香性和连接性在分子导电性中的关键作用.
相关概念视频
Switching of BJT
897
Switching behavior in Bipolar Junction Transistors (BJTs) is a fundamental aspect utilized in various electronic circuits, particularly for digital logic applications like switches and amplifiers. In a typical switching circuit, a BJT alternates between cut-off and saturation modes, corresponding to the "off" and "on" states, respectively, thus behaving like an ideal switch.
Cut-off Mode ("Off" State): In this state, both the emitter-base and collector-base junctions are...
Cut-off Mode ("Off" State): In this state, both the emitter-base and collector-base junctions are...
897
Nucleophilic Aromatic Substitution of Aryldiazonium Salts: Aromatic SN1
2.8K
Treating arylamines with nitrous acid gives aryldiazonium salts that are effective substrates in nucleophilic aromatic substitution reactions. The diazonio group in these salts can be easily displaced by different nucleophiles, yielding a wide variety of substituted benzenes. The leaving group departs as nitrogen gas, and this easy elimination is the driving force for the substitution reaction.
In the Sandmeyer reaction, for example, the diazonio group is replaced by a chloro, bromo,...
In the Sandmeyer reaction, for example, the diazonio group is replaced by a chloro, bromo,...
2.8K
Conduct Disorder
622
Conduct disorder is a complex mental health diagnosis characterized by a repetitive and persistent pattern of behavior that violates societal norms, the rights of others, or age-appropriate rules. The diagnostic criteria for conduct disorder require the presence of at least three problematic behaviors within the past 12 months, with at least one occurring in the past six months. These behaviors are grouped into four categories: aggression toward people and animals; destruction of property;...
622
Conduction System of the Heart
13.8K
Autorhythmicity is a term that refers to the heart's inherent ability to generate electrical signals and instigate muscle contractions. This self-regulating conduction system within the heart consists of two key components: the pacemaker cells and specialized conducting cells.
The pacemaker cells are located in two primary nodes: the sinoatrial (SA) node and the atrioventricular (AV) node. The SA node pacemaker cells can autonomously depolarize, triggering an action potential that leads to the...
The pacemaker cells are located in two primary nodes: the sinoatrial (SA) node and the atrioventricular (AV) node. The SA node pacemaker cells can autonomously depolarize, triggering an action potential that leads to the...
13.8K
Conduction System of the Heart
4.1K
The cardiac conduction system produces and transmits electrical impulses that prompt myocardial contraction, ensuring efficient heart function. This intricate system ensures that the heart beats in a coordinated and efficient manner, beginning with the atria and then the ventricles. The conduction system optimizes cardiac output by maintaining this precise sequence, which is crucial for adequate blood circulation.
This system relies on the unique properties of nodal and Purkinje cells:...
This system relies on the unique properties of nodal and Purkinje cells:...
4.1K
Electrical Conductivity
1.8K
In perfect conductors, the electric field inside is always zero due to the abundance of free electrons, which nullify any field by flowing. As a result, any residual charge resides on the surface.
In a practical conductor, an applied electric field may be sustained, causing a flow of electrons, which produce a current. The differential form of the current, the current density, is related to the electric field.
More generally, it is related to the force per unit charge, which involves the...
In a practical conductor, an applied electric field may be sustained, causing a flow of electrons, which produce a current. The differential form of the current, the current density, is related to the electric field.
More generally, it is related to the force per unit charge, which involves the...
1.8K


