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。
So, in this case, we're just drawing the molecular orbital diagram for the valence electrons, so we have three for each. 所以在这个例子里面,我们只需要画出,价电子的分子轨道图,所以每个有3个电子。
For the molecular orbital, the irreducible representation component is analyzed besides the membership function of the fuzzy symmetry transformation. 对于分子轨道,除模糊对称变换的隶属函数外,分析了所属不可约表示成分。
Molecular orbital study was applied to investigate electroless deposition processes, focusing upon reducibility of reductants as well as the effect of catalytic activity of the metal surfaces. 分子轨道研究被应用于非电化学沉积中,主要用于研究还原剂的还原性能和金属表面的催化活性。
This is sigma star with the antibonding orbital that came from1s, and it is a molecular orbital. 这是sigma星,来自于1s的反键轨道,它是一个分子轨道。
So any time in a molecular orbital diagram you draw in orbitals, you need to draw the corresponding molecular orbitals. 任何时候你在分子轨道图里画轨道,你都要画出相对应的分子轨道。
And what I want to point out that we just figured out for molecular orbital theory, is that o2 is a biradical, because remember, the definition of a radical is when we have an unpaired electron. 我要指出的是,我们刚利用分子轨道理论,指导了O2是二价自由基,因为记住,自由基的定义是,有个未配对的电子。
So that's the idea of a bonding molecular orbital. 这就是成键分子轨道的概念。
So this is going to be our molecular orbital diagram. 这就是分子轨道图。
And again, I want to point out that a molecular orbital, we can also call that a wave function, they're the same thing. 同样,我要指出的是,一个分子轨道,我们也可以叫它波函数,这是一件事情。
So, let's draw in our electrons there, so we have our two electrons now in the molecular orbital. 让我们把电子画在这里,我们现在有两个电子在分子轨道里。
Sigma symmetry of this molecular orbital, specifically that it's cylindrically symmetric about the bond axis. 告诉我们关于,And,the,sigma,tells,us,something,about,the,分子轨道对称性的信息,特别是它关于键轴是圆柱对称的。
If we overlay what the actual molecular orbital is on top of it, what you see is that in the center you end up cancelling out the wave function entirely. 如果我们把真实的分子轨道覆盖在上面,你可以看到中间的,波函数是完全抵消掉了。
So in molecular orbital theory, what we did was we named orbitals based on their symmetry. 在分子轨道理论中,我们基于轨道的对称性给它们命名。
Free electron molecular orbital model 自由电子分子轨道模型
So, if we look at the molecular orbital, that's actually going to be lower in energy than either of the two atomic orbitals. 如果我们看分子轨道的话,它实际上要比,两个原子轨道都要低。
But let's go ahead and start our discussion in terms of molecular orbital theory. 让我们从,分子轨道理论开始讲起。
Whereas in molecular orbital theory, what I'm telling you is instead we understand that the electrons are spread all over the molecule, they're not just associated with a single atom or a single bond. 而在分子轨道理论里,我要告诉你们的时,我们任为电子分布在整个分子中,它们不仅仅是和,一个原子或者一个键有关。
Today we're talking about molecular orbital theory. 今天我们要讲的是分子轨道理论。
Pi orbitals are a molecular orbital that have a nodal plane through the bond axis. 轨道是沿着键轴,有节面的分子轨道。
Right, we had one from each atom, so that means we need a total of two in our molecular orbital. 对吧,每个原子有一个电子,这意味着在分子轨道里我们一共需要两个电子。
The1 s just comes from the fact that the molecular orbital is a combination of two1 s atomic orbitals. 是因为分子轨道是两个,1s原子轨道的组合。
So, if we have two atomic orbitals coming together from two different atoms and they combine, what we end up forming is a molecular orbital. 如果我们有两个,不同原子的原子轨道,而且它们组合到一起,我们最后就能得到一个分子轨道。
So, molecular orbital theory, on the other hand, is based on quantum mechanics. 另一方面分子轨道理论,是基于量子力学的。
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。
And I am going to superscript it molecular orbital, and this upper one, to indicate that it's antibonding, has the asterisk. 我将给分子轨道加上标,这个上标,表示反键轨道,有一个星号。
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。
It's the same thing with molecules a molecular wave function just means a molecular orbital. 这对于分子也是一样,分子波函数就意味着分子轨道。
And this one here, because it is at a higher energy is called antibonding molecular orbital. 这里的这个,因为处在一个较高的能级,被叫做反键分子轨道能级。