molecular orbital

简明释义

分子轨道

英英释义

例句

1.In quantum chemistry, a molecular orbital 分子轨道 is formed by the combination of atomic orbitals.

在量子化学中，分子轨道 是通过原子轨道的组合形成的。

2.When two atoms bond, their atomic orbitals combine to form new molecular orbitals 分子轨道.

当两个原子结合时，它们的原子轨道结合形成新的分子轨道。

3.The bonding and antibonding molecular orbitals 分子轨道 determine the stability of a molecule.

键合和反键合的分子轨道 决定了分子的稳定性。

4.Understanding molecular orbitals 分子轨道 is crucial for predicting molecular geometry.

理解分子轨道 对于预测分子几何形状至关重要。

5.The energy levels of electrons in a molecule can be described using molecular orbitals 分子轨道.

分子中电子的能级可以通过分子轨道来描述。

作文

In the realm of chemistry, understanding the structure and behavior of molecules is crucial for predicting their reactivity and properties. One fundamental concept that aids in this understanding is the idea of a molecular orbital, which can be defined as a region in a molecule where the probability of finding electrons is high. Unlike atomic orbitals, which are associated with individual atoms, molecular orbitals result from the combination of atomic orbitals when atoms bond together to form molecules. This concept is central to molecular orbital theory, which provides a more comprehensive view of chemical bonding compared to the older valence bond theory.The formation of molecular orbitals occurs through the linear combination of atomic orbitals (LCAO). When two atomic orbitals combine, they can either constructively interfere, leading to the formation of a bonding molecular orbital, or destructively interfere, resulting in an antibonding molecular orbital. The bonding molecular orbital has lower energy than the original atomic orbitals, while the antibonding molecular orbital has higher energy. This energy difference is critical because it helps explain why certain molecules are stable, while others are not.For example, consider the diatomic hydrogen molecule (H₂). Each hydrogen atom contributes one 1s atomic orbital. When these orbitals combine, they form one bonding molecular orbital and one antibonding molecular orbital. The bonding molecular orbital is filled with the two electrons from the hydrogen atoms, resulting in a stable molecule. In contrast, if we were to look at the antibonding molecular orbital, it would not be filled under normal conditions, thus remaining unoccupied and contributing to the stability of H₂.The significance of molecular orbitals extends beyond simple diatomic molecules. In larger and more complex molecules, molecular orbitals can be delocalized over several atoms, which is particularly important in the study of conjugated systems and resonance structures. For instance, in benzene, a well-known aromatic compound, the π electrons are not localized between individual carbon atoms but rather occupy a set of degenerate molecular orbitals that extend over the entire ring. This delocalization contributes to the unique stability and reactivity of aromatic compounds.In conclusion, the concept of molecular orbitals is essential for understanding the electronic structure of molecules. By providing insights into how atomic orbitals combine to form new energy states, molecular orbitals help chemists predict molecular behavior and reactivity. As we continue to explore the vast world of chemistry, the principles of molecular orbitals will remain a cornerstone of our understanding of molecular interactions and the nature of chemical bonds.

在化学领域，理解分子的结构和行为对于预测其反应性和性质至关重要。一个有助于这种理解的基本概念是分子轨道的概念，它可以定义为分子中找到电子的概率高的区域。与与单个原子相关的原子轨道不同，分子轨道是当原子结合形成分子时，原子轨道的组合所产生的。这一概念是分子轨道理论的核心，它提供了比旧的价键理论更全面的化学键视角。分子轨道的形成是通过原子轨道的线性组合（LCAO）实现的。当两个原子轨道结合时，它们可以发生相干干涉，从而形成一个键合的分子轨道，或者发生破坏性干涉，导致一个反键合的分子轨道的形成。键合的分子轨道的能量低于原始的原子轨道，而反键合的分子轨道的能量则高。这个能量差异是关键，因为它有助于解释为什么某些分子是稳定的，而其他分子则不是。例如，考虑二原子氢分子（H₂）。每个氢原子贡献一个1s原子轨道。当这些轨道结合时，它们形成一个键合的分子轨道和一个反键合的分子轨道。键合的分子轨道被来自氢原子的两个电子填充，从而形成一个稳定的分子。相反，如果我们查看反键合的分子轨道，在正常条件下，它不会被填充，因此保持未占据状态，从而有助于H₂的稳定性。分子轨道的重要性超出了简单的二原子分子。在更大和更复杂的分子中，分子轨道可以在多个原子之间去局域化，这在研究共轭体系和共振结构时尤其重要。例如，在苯这种著名的芳香化合物中，π电子并不是局限于单个碳原子之间，而是占据一组退化的分子轨道，这些轨道扩展到整个环。这种去局域化有助于芳香化合物独特的稳定性和反应性。总之，分子轨道的概念对于理解分子的电子结构至关重要。通过提供关于原子轨道如何结合形成新的能态的见解，分子轨道帮助化学家预测分子行为和反应性。随着我们继续探索广阔的化学世界，分子轨道的原则将始终是我们理解分子相互作用和化学键性质的基石。