And the technique is called, watch because this is a six-letter initialization, linear combination of atomic orbitals LCAO-MO into molecular orbital, LCAO-MO.
这项技术是,一个6字母初始设定,原子轨道的线性叠加,成分子轨道。
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 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。
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。
s1 Here is 1s atomic. But lithium has 2s1, so I need a 2s atomic orbital here and likewise over here.
这是1s原子,但锂有两层,所以我还需要在这里添加2s轨道,就像那样。
So we can go ahead and name our molecular orbital, just like we know how to name our atomic orbitals.
我们可以继续命名分子轨道,就想我们知道如何命名原子轨道一样。
The electron's going to come out of that highest occupied atomic orbital, that one that's the highest in energy, because that's going to be the at least amount of energy it needs to eject something.
这个电子应该是从,最高的被占据轨道上出来的,它的能级是最高的,因为这样的话发射出它,只需要消耗最少的能量。
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, 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。
It makes sense that it's going to come out of the highest occupied atomic orbital, because that's going to be the lowest amount of energy that's required to actually eject an electron.
从最高占据轨道上,去掉一个电子是合理的,因为这样是发射一个电子,所损失的最低能量。
I am going to sum up the atomic orbitals that go into the molecular orbital, and they are going to have some coefficients.
我准备将原子轨道组合起来,进行分子轨道计算,这个过程还需添加一些系数。
So, saying wave functions within molecules might sound a little confusing, but remember we spent a lot of time talking about wave functions within atoms, and we know how to describe that, we know that a wave function just means an atomic orbital.
说分子内的波函数可能,听着有点容易搞混,但记住我们花了很多时间,讨论了原子中的波函数,而且我们知道如何去描述它,我们知道波函数意味着原子轨道。
So any time that you're drawing these molecular orbital diagrams you want to keep in mind that the number of electrons that you have in atomic orbitals, you need to add those together and put that many electrons into your molecule.
任何时候当你们画分子轨道图时,你们要记住,原子轨道里的电子数,你要把它们加在一起,并放到分子轨道里去。
This is 2pz atomic orbital plus 2pz atomic orbital, and they react to form something that smears in this manner.
这是2pz原子轨道与2pz原子轨道作用,他们按照这样的方式互相作用形成了一些东西,虽然还带一点拖尾效应。
The 1 s just comes from the fact that the molecular orbital is a combination of two 1 s atomic orbitals.
是因为分子轨道是两个,1s原子轨道的组合。
And these orbitals arise from the combination of individual atomic orbital.
这些轨道起源于,每个原子轨道的组合。
Here is a 2py atomic orbital, and it will react with a second 2py atomic orbital.
这是2py原子轨道,与另外那个2py轨道作用。
And then we're going to name the atomic orbitals that make it up, and it's being made up of a carbon 2 s p 3 orbital, and a hydrogen 1 s orbital.
然后我们要命名,组成它的原子轨道,它是由碳2sp3轨道,和氢原子1s轨道组成。
This is the 1s. And, just to be clear, this is the 1s atomic orbital in atomic hydrogen.
说清楚,这是原子氢的1s原子轨道。
All right, so I did this not at all purposely, but this can point out for you that you need to make sure that the number of electrons that you have in your molecular orbital does match up with the total number that you have in your atomic orbitals.
我并不是故意这么做的,但这告诉我们必须要保证,分子轨道里的电子数,和原子轨道里的,总电子数能对上。
And what we end up forming is a molecular orbital, because as we bring these two atomic orbitals close together, the part between them, that wave function, constructively interferes such that in our molecular orbital, we actually have a lot of wave function in between the two nuclei.
最后我们得到了分子轨道,因为当我们把这两个原子轨道放在一起的时候,它们之间的部分,波函数,相干相加,所以在分子轨道里,我们在两个原子核之间有很多波函数。
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。
Here is 2s atomic orbital. Here is 1s atomic orbital.
这就是2s原子轨道,这是1s原子轨道。
Here is another 1s, atomic orbital for helium.
这是另外一个1s,氦的原子轨道。
And these are s's. This is 1s atomic orbital.
它们是s轨道的,这是1s的原子轨道。
So we have two electrons in our bonding orbital, but because we use the same rules to fill up molecular orbitals as we do atomic orbitals, so the Pauli exclusion principle tells us we can't have more than two electrons per orbital, so we have to go up to our anti-bonding orbital here.
所以在成键轨道上有两个电子,但因为我们用了和原子轨道时,用的相同的规则,所以Pauli不相容原理告诉我们,一个轨道上不能有两个以上的电子,所以我们需要填充到反键轨道上去。
So what I want to point out with this case in beryllium is that you don't have to use all of the electrons to figure out the bond order, and in fact, once you get to molecules 10 that are from atoms with atomic numbers of 8 or 10, you're not going to want to maybe draw out the full molecular orbital diagram.
我要指出的是,在Be这种情况下,你不需要利用,所有的电子来指导键序,实际上,一旦分子中,原子序数到达了8或者,你也许不想画出,整个分子轨道图。
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