So it's an Anti-bonding orbital.
这是一个反键轨道。
So, let's start our discussion of a bonding orbital.
让我们开始来讨论成键轨道。
And this again is what we're going to call a bonding orbital.
同样,我们叫它成键轨道。
So any time you see a star that means an anti-bonding orbital.
任何时候你看到有个星,这意味着它是反键轨道。
And so this lower level is called a bonding orbital, and it is a bonding molecular orbital.
所以能级较低的轨道叫做成键轨道,这就是成键分子轨道。
So we would label our anti-bonding orbital higher in energy than our 1 s atomic orbitals.
我们应该把反键轨道标在,高于1s原子轨道能量的地方。
And what you find is when you have a bonding orbital, the energy decreases compared to the atomic orbitals.
你们发现当你有个成键轨道的时候,相比原子轨道能量要降低。
It turns out that the antibonding orbital is a little bit higher from the atomic orbital level than the bonding orbital is lower.
这证明了,反键轨道,比原子轨道高,成键轨道比原子轨道第。
And the other thing to point out is that the energy that an anti-bonding orbital is raised by, is the same amount as a bonding orbital is lowered by.
另外一个要指出的事情是,反键轨道引起的能量升高,和成键轨道引起的能量降低是相同的。
So again, this is an anti-bonding orbital, and what you see is that there is now less electron density between the two nuclei than there was when you had non-bonding.
同样的,这是反键轨道,你们看到当你有反键轨道的时候,两个原子核中间的电子密度更小了。
So you should remember that any time we combine 2 s orbitals, what we're going to find is if we constructively interfere those two orbitals, we're going to form a bonding orbital.
你们要记住,任何时候我们组合两个2s轨道,我们会发现,如果我们把它们相长叠加,我们会得到一个成键轨道。
Also, it is cylindrically symmetric around the bonding axis, so this is how we know that it's a sigma orbital.
此外,它关于键轴是圆柱对称的,这就是为什么我们知道它是sigma轨道。
Because we have paired set in a 2 s orbital, so all we're left essentially is two electrons that are available for bonding.
因为我们有一对,在2s轨道里已经配对了,所以只剩下两个电子可以用来成键。
So that's the idea of a bonding molecular orbital.
这就是成键分子轨道的概念。
So if we name this orbital, this is an anti-bonding molecular orbital So we had bonding and now we're talking about anti-bonding.
这是反键分子轨道,我们有了成键,现在我们讨论反键。
In addition, we introduced the natural bond orbital (NBO) methods, which is increasingly important in bonding analysis and can be used for DFT methods.
另外,我们介绍了自然键轨道(NBO)方法,这种方法在成键分析中显示越来越重要的作用,并能够结合用于DFT方法中。
The spatial configurations and bonding effects of Oxides of Nitrogen were explained by using the Valence-shell Electron Repulsion Theory, Hybrid-orbital Theory and Molecular orbital Theory.
用杂化轨道理论和分子轨道理论阐明了氮的氧化物成键类型,给出了分子空间构型及结构数据的解释。
Molecular Orbital Theory and Pericyclic Reactions: Modern concepts of bonding and aromaticity.
轨道理论和周环反应:关于化学键和芳香性的现代概念。
Molecular Orbital Theory and Pericyclic Reactions: Modern concepts of bonding and aromaticity.
轨道理论和周环反应:关于化学键和芳香性的现代概念。
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