2020年6月10日 · In MO theory, molecular orbitals are formed from the superposition of regular atomic orbitals (not hybrid orbitals), so most MO diagrams I see are drawn like this: So are molecular orbitals formed from regular (s,p,d, etc.) atomic orbitals, or are they also formed from the hybrid orbitals?

Do the molecular orbital configurations and their order depend on the scheme and the linear combination of atoms (homo and heteronuclear, di and polyatomic) or is there some "standard ordering" like the aufbau principle $\ce{1s~2s~2p~3s~3p~4s~3d~4p~5s~\dots}$ for atomic orbitals in atoms?

2018年9月19日 · So my understanding of molecular orbitals is as follows: the molecular orbitals of $\ce{LiH}$ can be thought of as being formed from the interaction/overlap of two atomic orbitals, one from lithium and one from hydrogen in this case. I also understand that the atomic orbitals have to be quite close in energy for any significant interaction to ...

2014年8月15日 · $\begingroup$ I see more ways to put the planes .For example, a molecular orbital with one nodal plane can be constructed so that the nodal plane passes through two atomic orbitals. I don't understand how MOs in the image are symmetric and the one I proposed here isn't. $\endgroup$

2015年3月26日 · When the electronic structure of a molecule is represented by molecular orbitals, all electrons occupy molecular orbitals. Molecular orbitals can be approximated as linear combinations of atomic orbitals. A complete basis set for the molecular orbitals is an infinite set of atomic orbitals. A finite set of atomic orbitals will be a less ...

2015年12月29日 · But what about the molecular orbitals formed due to the overlapping of s-p orbitals or p-d orbitals? mo due to to overlapping of s-p orbitals: mo due to overlapping of p-d orbitals: If I rotate about the first orbital about an axis perpendicular to the inter-nuclear axis, the smaller lobe goes to the right only; the sign always remains same ...

In my understanding localized molecular orbitals (LMOs) are equivalent to "standard" molecular orbitals, often called canonical orbitals (CMOs—by the way, why are they called canonical?). We can produce LMOs by linear combination of CMOs and they represent the same physical state. I have two questions:

2015年1月20日 · If I imagine a free Xenon atom in space, and the approach of four individual fluorine atoms, I would expect the bond formation to be randomized with respect to the orientation of the fluorine p-orbitals, and therefore for some arrangements to not be perfectly symmetrical, such as 3 positive p-orbitals, 1 negative, facing inward.

2014年7月18日 · The lighter second period elements (prior to oxygen) have a relatively small difference in energy between the 2s and 2p orbitals. This allows sufficient s-p mixing to lower the energy of the σ(2s) and σ*(2s) molecular orbitals, and is energetically offset by an increase in energy of the σ(2p) and σ*(2p) molecular orbitals.

2016年5月16日 · The π orbitals largely remain untouched by this. From there we can use the fact, that carbon monoxide is isoelectronic with dinitrogen. We have to skew the energies of the atomic orbitals. The energy of the atomic orbitals is decreasing from left to right in the period; therefore carbon will have slightly elevated levels and oxygen's are lowered.