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。
Now, from your book as well, this is the pz's of the two atomic orbitals forming the bonding orbital.
现在,也是你们书上,这是两个pz轨道,组成的成键轨道。
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。
Where EVM is the sum of eigenvalue of bonding orbital-connection matrix of the alkyl group and PEI is the polarizibility of alkyl.
EVM为醇中烷基的键连接矩阵特征根之和,PEI为烷基的极化效应指数。
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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