2015年8月8日 · In exact same way we could not tell why $\mathrm{\sigma_{2p_{z}}}$ MO becomes lower in energy than $\mathrm{\sigma_{2p_{z}}}$ MO to the left of $\ce{N2}$ and not to the left of, say, $\ce{C2}$. All this is simply because the primitive molecular orbital theory does not explain the things, rather it rationalizes them (for differences between ...

2014年7月18日 · This phenomenon is explained by s-p mixing. All the elements in the second period before oxygen have the difference in energy between the 2s and 2p orbital small enough, so that s-p mixing (combination) can occur lowering the energy of the σ(2s) and σ*(2s) and increasing the energy of the σ(2p) and σ*(2p) molecular orbitals.

2015年2月5日 · In the MO diagram of $\ce{N2^2-}$, does s-p mixing happen to a significant degree to change the ordering of orbitals - $\pi_\mathrm{2p}$ orbital below $\sigma_\mathrm{2p}$? As it is isoelectronic with oxygen, I think that the s-p mixing shouldn't change the ordering.

2016年5月16日 · $\ce{CO}$ is isoelectronic with $\ce{N2}$. Sketch MO diagrams for $\ce{CO}$ and $\ce{N2}$. Point out key differences between the diagrams and use the diagram to explain why $\ce{CO}$ acts as a two-electron donor through carbon rather than through oxygen.

2023年6月1日 · Molecular orbital (MO) diagram for N2 and N2^- 3 Do chemists use molecular orbital theory to explain physical characteristics of a compound (i.e. melting point, boiling point, etc)

2017年1月19日 · This is because one electron cannot occupy two orbitals at the same time in an MO description. Because of that (from a technical point of view) the orbital degeneracy has to be broken. Physically this is not possible. The molecule has to be treated with a multi-reference approach, i.e. one MO description for every possible configuration.

2022年10月21日 · $\begingroup$ I don't see anything in the linked article about MOs repelling each other. It says that the change in energy is due to s-p mixing, and that mixing is less in O,F and Ne because of the larger starting energy difference between the s and p orbitals which they attribute to the pairing energy of filled p orbitals (I would add …

2018年10月30日 · For diatomic molecules there is a lot of spectroscopic data available. So let's check it: $\ce{N2+}$ in the NIST Chemistry WebBook. The states in that table are ordered by energy, with the ground state at the bottom. So scrolling down shows us the 3 lowest lying states: $\rm X ^2\Sigma_g^+$, $\rm A^2\Pi_u$, $\rm B^2\Sigma_u^+$.

2020年9月10日 · There is a significant portion of s-p mixing in dinitrogen. Please see this great answer by Wildcat on Molecular orbital (MO) diagram for $\ce{N2}$ and $\ce{N2^-}$.

2024年2月11日 · In a Molybdenum complex of the form Mo(NR2)3, the Mo is in the oxidation state of +3, leaving it with 3 d electrons. When combined with an additional 2*3 electrons from the ligands, this leaves it with 9 electrons surrounding the metal. This is 9 less than the full 18, and so it could be said to have 9 frontier orbitals?