delocalization energy

简明释义

非定域能

英英释义

例句

1.Calculating delocalization energy can provide insights into the reactivity of organic compounds.

计算离域能可以为有机化合物的反应性提供洞见。

2.The higher the delocalization energy, the more stable the molecule tends to be.

越高的离域能，分子往往越稳定。

3.In molecular orbital theory, delocalization energy helps explain why certain molecules have lower energy states.

在分子轨道理论中，离域能有助于解释为什么某些分子具有较低的能量状态。

4.The delocalization energy in conjugated systems contributes to their unique electronic properties.

共轭系统中的离域能有助于其独特的电子特性。

5.The concept of delocalization energy is crucial in understanding the stability of aromatic compounds.

理解芳香化合物的稳定性时，离域能的概念至关重要。

作文

Delocalization energy is a fundamental concept in chemistry that refers to the energy associated with the delocalization of electrons within a molecule. This phenomenon occurs when electrons are not confined to a single atom or a bond but are spread over several atoms, leading to increased stability of the molecule. The concept of delocalization energy can be best understood through the example of benzene, a well-known aromatic compound. In benzene, the six carbon atoms are arranged in a ring, and the electrons from the double bonds are not fixed between two specific carbons. Instead, they are shared across all six carbon atoms, creating a system of resonance. This delocalization of electrons contributes to the overall stability of benzene, making it less reactive than other unsaturated hydrocarbons. The significance of delocalization energy extends beyond just benzene; it plays a crucial role in various chemical reactions and the stability of different molecular structures. For instance, in conjugated systems where alternating single and double bonds exist, the delocalized electrons can lower the overall energy of the molecule, making it more stable. This stability is often quantified in terms of resonance energy, which is the difference in energy between the actual structure of a molecule and the energy of its most stable Lewis structure. Moreover, the concept of delocalization energy is not limited to organic compounds. It also appears in the context of inorganic chemistry, particularly in coordination complexes and metal-organic frameworks. In these systems, the delocalization of electrons can significantly influence the electronic properties and reactivity of the materials. For example, in transition metal complexes, the presence of delocalized d-orbitals can lead to interesting optical and magnetic properties, which are essential for applications in catalysis and materials science. Understanding delocalization energy is also vital in the field of theoretical chemistry and computational modeling. Researchers use quantum mechanical calculations to predict the delocalization of electrons in complex molecules, helping to design new compounds with desired properties. The study of delocalization energy has implications in drug design, where the stability and reactivity of potential pharmaceutical compounds can be assessed based on their electronic structure. In conclusion, delocalization energy is a key factor in determining the stability and reactivity of molecules. By allowing electrons to be spread over multiple atoms, it contributes to the resonance stabilization of compounds, influencing their behavior in chemical reactions. Whether in organic or inorganic chemistry, understanding the principles of delocalization energy is essential for chemists working to create new materials and comprehend the underlying mechanisms of chemical processes. As research advances, the exploration of delocalization energy will continue to provide insights into the intricate world of molecular interactions and stability.

离域能量是化学中的一个基本概念，指的是与分子内电子离域相关的能量。这种现象发生在电子不被限制在单个原子或键中，而是分布在多个原子上，从而导致分子的稳定性增加。通过苯这一著名的芳香化合物的例子，可以最好地理解离域能量。在苯中，六个碳原子呈环状排列，双键的电子并不是固定在两个特定的碳之间。相反，它们在所有六个碳原子之间共享，形成一种共振体系。这种电子的离域化促进了苯的整体稳定性，使其比其他不饱和碳氢化合物反应性更低。离域能量的重要性不仅限于苯；它在各种化学反应和不同分子结构的稳定性中发挥着关键作用。例如，在存在交替单键和双键的共轭体系中，离域电子可以降低分子的整体能量，使其更加稳定。这种稳定性通常通过共振能量来量化，即分子的实际结构与其最稳定的刘易斯结构之间的能量差。此外，离域能量的概念不限于有机化合物。在无机化学中，尤其是在配位化合物和金属有机框架中也会出现。在这些体系中，电子的离域化可以显著影响材料的电子特性和反应性。例如，在过渡金属络合物中，离域d轨道的存在可以导致有趣的光学和磁性特性，这对催化和材料科学的应用至关重要。理解离域能量在理论化学和计算建模领域也至关重要。研究人员使用量子力学计算来预测复杂分子中电子的离域情况，帮助设计具有所需特性的新的化合物。离域能量的研究在药物设计中具有重要意义，通过评估潜在药物化合物的稳定性和反应性，可以基于其电子结构进行评估。总之，离域能量是决定分子稳定性和反应性的关键因素。通过允许电子分布在多个原子上，它有助于化合物的共振稳定性，影响它们在化学反应中的行为。在有机或无机化学中，理解离域能量的原理对于正在努力创造新材料和理解化学过程的基本机制的化学家至关重要。随着研究的进展，探索离域能量将继续为我们提供关于分子相互作用和稳定性复杂世界的洞察。